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

1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine

ChemBase ID: 341577
Molecular Formular: C19H29N5O2
Molecular Mass: 359.46586
Monoisotopic Mass: 359.23212519
SMILES and InChIs

SMILES:
c1(n(cnn1)C)C1CCN(C(=O)C2CCN(C(=O)C3CCC3)CC2)CC1
Canonical SMILES:
O=C(N1CCC(CC1)c1nncn1C)C1CCN(CC1)C(=O)C1CCC1
InChI:
InChI=1S/C19H29N5O2/c1-22-13-20-21-17(22)14-5-9-23(10-6-14)19(26)16-7-11-24(12-8-16)18(25)15-3-2-4-15/h13-16H,2-12H2,1H3
InChIKey:
IAZUEDMMLIHLTQ-UHFFFAOYSA-N

Cite this record

CBID:341577 http://www.chembase.cn/molecule-341577.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine
IUPAC Traditional name
1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
Synonyms
1-(cyclobutylcarbonyl)-4-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl]carbonyl}piperidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14039068 external link Add to cart
Data Source Data ID Price
ChemBridge
14039068 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) -0.107693136  LogD (pH = 7.4) -0.10753191 
Log P -0.107529856  Molar Refractivity 100.5616 cm3
Polarizability 37.753174 Å3 Polar Surface Area 71.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.32  LOG S -3.4 
Polar Surface Area 71.33 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