1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C20H19N3O3 — CID 119112051

IUPAC1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1nc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccc1C#N
InChIInChI=1S/C20H19N3O3/c1-14-15(13-21)7-8-17(22-14)18(24)23-11-9-20(10-12-23,19(25)26)16-5-3-2-4-6-16/h2-8H,9-12H2,1H3,(H,25,26)
InChIKeyFTTSZQXNJORGNH-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.52
Rot. Bonds3

About 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119112051) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID119112051
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1nc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccc1C#N
InChIInChI=1S/C20H19N3O3/c1-14-15(13-21)7-8-17(22-14)18(24)23-11-9-20(10-12-23,19(25)26)16-5-3-2-4-6-16/h2-8H,9-12H2,1H3,(H,25,26)
InChIKeyFTTSZQXNJORGNH-UHFFFAOYSA-N
XLogP2.52
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
2-methyl-6-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridine-3-carbonitrile
CID 66548002
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117621
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119136798
1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 75513234
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168191
1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168408
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 119112051) is 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is Cc1nc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)ccc1C#N.
What is the InChIKey of 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is FTTSZQXNJORGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-15(13-21)7-8-17(22-14)18(24)23-11-9-20(10-12-23,19(25)26)16-5-3-2-4-6-16/h2-8H,9-12H2,1H3,(H,25,26).
What are the key properties of 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119112051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).