1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

C14H16ClNO4 — CID 119251452

IUPAC1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C14H16ClNO4/c1-9-2-3-10(8-11(9)15)12(17)16-6-4-14(20,5-7-16)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19)
InChIKeyINWHHIXJEAGRKK-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251452) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251452
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C14H16ClNO4/c1-9-2-3-10(8-11(9)15)12(17)16-6-4-14(20,5-7-16)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19)
InChIKeyINWHHIXJEAGRKK-UHFFFAOYSA-N
XLogP1.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-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

(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528177
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251541
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250951
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251925
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251452) is 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is Cc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is INWHHIXJEAGRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-9-2-3-10(8-11(9)15)12(17)16-6-4-14(20,5-7-16)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19).
What are the key properties of 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).