1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide

C27H34N4O — CID 9331

💊View drug profile → piritramide
IUPAC1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESN#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKeyIHEHEFLXQFOQJO-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.69
Rot. Bonds7

About 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide

1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 9331) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID9331
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESN#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKeyIHEHEFLXQFOQJO-UHFFFAOYSA-N
XLogP3.69
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isonipecotamide, 1-(2-(10,11-dihydrodibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-piperidino-, dihydrochloride
CID 52626
4-Piperidinecarboxamide, 1-phenethyl-4-(1-piperidyl)-2,2,6,6-tetramethyl-
CID 3039733
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid amide
CID 11501402
2-{3-[(4-Cyano-4-phenyl-1-piperidinyl)carbonyl]-1-piperidinyl}acetamide
CID 70756781
(6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one
CID 95550739
1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 110168376
Piritramide hydrochloride
CID 129722118
4-Piperidin-1-yl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]piperidine-4-carboxamide
CID 52627
Piritramide-d10 (1.0mg/ml in Acetonitrile)
CID 71751696
Piritramide dihydrochloride
CID 86278233
1-[4,4-Bis(4-fluorophenyl)but-3-enyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 110168374
1-[3-(4-Cyano-4-phenylpiperidin-1-YL)-3-oxopropyl]piperidine-4-carboxamide
CID 118795725

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 9331) is 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide is N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is IHEHEFLXQFOQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32).
What are the key properties of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 9331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).