4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

C21H30N4O — CID 44579472

IUPAC4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C21H30N4O/c1-23(16-17-24-12-6-3-7-13-24)20(26)25-14-10-21(18-22,11-15-25)19-8-4-2-5-9-19/h2,4-5,8-9H,3,6-7,10-17H2,1H3
InChIKeyCXGKOSAZNSEUKH-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.08
Rot. Bonds4

About 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 44579472) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID44579472
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C21H30N4O/c1-23(16-17-24-12-6-3-7-13-24)20(26)25-14-10-21(18-22,11-15-25)19-8-4-2-5-9-19/h2,4-5,8-9H,3,6-7,10-17H2,1H3
InChIKeyCXGKOSAZNSEUKH-UHFFFAOYSA-N
XLogP3.08
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (CID 44579472) is 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is CXGKOSAZNSEUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-23(16-17-24-12-6-3-7-13-24)20(26)25-14-10-21(18-22,11-15-25)19-8-4-2-5-9-19/h2,4-5,8-9H,3,6-7,10-17H2,1H3.
What are the key properties of 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 44579472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).