1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide

C18H25N3O — CID 133278220

IUPAC1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ccc(C#N)cc2)C1
InChIInChI=1S/C18H25N3O/c1-3-5-14(2)20-18(22)16-6-4-11-21(13-16)17-9-7-15(12-19)8-10-17/h7-10,14,16H,3-6,11,13H2,1-2H3,(H,20,22)
InChIKeyKFMPAEYLHPFXQZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 133278220) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID133278220
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ccc(C#N)cc2)C1
InChIInChI=1S/C18H25N3O/c1-3-5-14(2)20-18(22)16-6-4-11-21(13-16)17-9-7-15(12-19)8-10-17/h7-10,14,16H,3-6,11,13H2,1-2H3,(H,20,22)
InChIKeyKFMPAEYLHPFXQZ-UHFFFAOYSA-N
XLogP3.08
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(4-cyanophenyl)piperidine-3-carboxylate
CID 78920280
1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 82044943
(3R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956068
1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133270425
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431535
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride
CID 166607137
4-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 112698409
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133278205
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95706399

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 133278220) is 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(c2ccc(C#N)cc2)C1.
What is the InChIKey of 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is KFMPAEYLHPFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-5-14(2)20-18(22)16-6-4-11-21(13-16)17-9-7-15(12-19)8-10-17/h7-10,14,16H,3-6,11,13H2,1-2H3,(H,20,22).
What are the key properties of 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 133278220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).