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

1-[3-(morpholin-4-yl)propyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

ChemBase ID: 470026
Molecular Formular: C19H28N4O3
Molecular Mass: 360.45062
Monoisotopic Mass: 360.21614078
SMILES and InChIs

SMILES:
N1(C(=O)CCC(C(=O)NCc2ncccc2)C1)CCCN1CCOCC1
Canonical SMILES:
O=C(C1CCC(=O)N(C1)CCCN1CCOCC1)NCc1ccccn1
InChI:
InChI=1S/C19H28N4O3/c24-18-6-5-16(19(25)21-14-17-4-1-2-7-20-17)15-23(18)9-3-8-22-10-12-26-13-11-22/h1-2,4,7,16H,3,5-6,8-15H2,(H,21,25)
InChIKey:
QGAFBAPBVFJLKH-UHFFFAOYSA-N

Cite this record

CBID:470026 http://www.chembase.cn/molecule-470026.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(morpholin-4-yl)propyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
IUPAC Traditional name
1-[3-(morpholin-4-yl)propyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
Synonyms
1-[3-(4-morpholinyl)propyl]-6-oxo-N-(2-pyridinylmethyl)-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33886552 external link Add to cart
Data Source Data ID Price
ChemBridge
33886552 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.137707  H Acceptors
H Donor LogD (pH = 5.5) -2.0997164 
LogD (pH = 7.4) -0.7872737  Log P -0.6676028 
Molar Refractivity 98.4529 cm3 Polarizability 38.404552 Å3
Polar Surface Area 74.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -1.16  LOG S -0.85 
Polar Surface Area 74.77 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