Home > Compound List > Compound details
 molecular structure
click picture or here to close

N-{1-[1-(cyclopent-1-ene-1-carbonyl)piperidin-4-yl]-2-phenylethyl}-N-methylthiophene-3-carboxamide

ChemBase ID: 398875
Molecular Formular: C25H30N2O2S
Molecular Mass: 422.5829
Monoisotopic Mass: 422.20279921
SMILES and InChIs

SMILES:
C(=O)(c1cscc1)N(C(C1CCN(C(=O)C2=CCCC2)CC1)Cc1ccccc1)C
Canonical SMILES:
O=C(C1=CCCC1)N1CCC(CC1)C(N(C(=O)c1ccsc1)C)Cc1ccccc1
InChI:
InChI=1S/C25H30N2O2S/c1-26(24(28)22-13-16-30-18-22)23(17-19-7-3-2-4-8-19)20-11-14-27(15-12-20)25(29)21-9-5-6-10-21/h2-4,7-9,13,16,18,20,23H,5-6,10-12,14-15,17H2,1H3
InChIKey:
RBHYFDMGVWBGQC-UHFFFAOYSA-N

Cite this record

CBID:398875 http://www.chembase.cn/molecule-398875.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{1-[1-(cyclopent-1-ene-1-carbonyl)piperidin-4-yl]-2-phenylethyl}-N-methylthiophene-3-carboxamide
IUPAC Traditional name
N-{1-[1-(cyclopent-1-ene-1-carbonyl)piperidin-4-yl]-2-phenylethyl}-N-methylthiophene-3-carboxamide
Synonyms
N-{1-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-2-phenylethyl}-N-methyl-3-thiophenecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 22569639 external link Add to cart
Data Source Data ID Price
ChemBridge
22569639 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 4.3582025  LogD (pH = 7.4) 4.358204 
Log P 4.358204  Molar Refractivity 123.0908 cm3
Polarizability 46.706528 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.82  LOG S -5.75 
Polar Surface Area 40.62 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle