1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

C15H17N3O3 — CID 107070005

IUPAC1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)Nc2ccc(C#N)cc2)C1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-10-3-2-8-18(13(10)14(19)20)15(21)17-12-6-4-11(9-16)5-7-12/h4-7,10,13H,2-3,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyFCDCXIHHSLPPAI-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.28
Rot. Bonds2

About 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107070005) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107070005
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)Nc2ccc(C#N)cc2)C1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-10-3-2-8-18(13(10)14(19)20)15(21)17-12-6-4-11(9-16)5-7-12/h4-7,10,13H,2-3,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyFCDCXIHHSLPPAI-UHFFFAOYSA-N
XLogP2.28
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid 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

1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
1-[(3-bromo-4-fluorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071863
1-[(3-chloro-4-cyanophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781746
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
1-[(4-ethoxyphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781463
N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250320
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071231
3-[(2R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-2-yl]benzoic acid
CID 66653144
(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
CID 82755656
N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 71875047
1-[(2-fluoro-4-methylphenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071284

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (CID 107070005) is 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)Nc2ccc(C#N)cc2)C1C(=O)O.
What is the InChIKey of 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is FCDCXIHHSLPPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-3-2-8-18(13(10)14(19)20)15(21)17-12-6-4-11(9-16)5-7-12/h4-7,10,13H,2-3,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107070005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).