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

C14H18N2O3 — CID 63653513

IUPAC2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
SMILESCc1ccc(NC(=O)C2CCCNC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-4-5-11(7-12(9)14(18)19)16-13(17)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVSONIMFQUCFNB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.63
Rot. Bonds3

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

2-methyl-5-(piperidine-3-carbonylamino)benzoic acid (PubChem CID 63653513) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
PubChem CID63653513
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
SMILESCc1ccc(NC(=O)C2CCCNC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-4-5-11(7-12(9)14(18)19)16-13(17)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVSONIMFQUCFNB-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119321700
5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
CID 142738187
2,3-dimethyl-5-(pyrrolidine-3-carbonylamino)benzoic acid
CID 55142915
N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
CID 110837941
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid?
The IUPAC name of 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid (CID 63653513) is 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid?
The canonical SMILES for 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid is Cc1ccc(NC(=O)C2CCCNC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid?
The InChIKey is OVSONIMFQUCFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-5-11(7-12(9)14(18)19)16-13(17)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid?
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 63653513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).