5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid

C14H17ClN2O3 — CID 142738187

IUPAC5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
SMILESCc1cc(Cl)cc(C(=O)O)c1NC(=O)C1CCCNC1
InChIInChI=1S/C14H17ClN2O3/c1-8-5-10(15)6-11(14(19)20)12(8)17-13(18)9-3-2-4-16-7-9/h5-6,9,16H,2-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyUEEVRXJOHQIZRB-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.28
Rot. Bonds3

About 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid

5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid (PubChem CID 142738187) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
PubChem CID142738187
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
SMILESCc1cc(Cl)cc(C(=O)O)c1NC(=O)C1CCCNC1
InChIInChI=1S/C14H17ClN2O3/c1-8-5-10(15)6-11(14(19)20)12(8)17-13(18)9-3-2-4-16-7-9/h5-6,9,16H,2-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyUEEVRXJOHQIZRB-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 65490081
3,5-dichloro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 82830786
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
CID 114074295
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
CID 55142915
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid?
The IUPAC name of 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid (CID 142738187) is 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid?
The canonical SMILES for 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid is Cc1cc(Cl)cc(C(=O)O)c1NC(=O)C1CCCNC1.
What is the InChIKey of 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid?
The InChIKey is UEEVRXJOHQIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-5-10(15)6-11(14(19)20)12(8)17-13(18)9-3-2-4-16-7-9/h5-6,9,16H,2-4,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid?
5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 142738187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).