2-methyl-5-(piperidine-1-carbonylamino)benzoic acid

C14H18N2O3 — CID 63653011

IUPAC2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
SMILESCc1ccc(NC(=O)N2CCCCC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10-5-6-11(9-12(10)13(17)18)15-14(19)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyXUAJHSYZFJOUFR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid

2-methyl-5-(piperidine-1-carbonylamino)benzoic acid (PubChem CID 63653011) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
PubChem CID63653011
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
SMILESCc1ccc(NC(=O)N2CCCCC2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-10-5-6-11(9-12(10)13(17)18)15-14(19)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyXUAJHSYZFJOUFR-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(pyrrolidine-1-carbonylamino)benzoic acid
CID 63654397
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
2-bromo-5-(piperidine-1-carbonylamino)benzoic acid
CID 115295940
5-(azocane-1-carbonylamino)-2-bromobenzoic acid
CID 115296680
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 61189115
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid?
The IUPAC name of 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid (CID 63653011) is 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid is Cc1ccc(NC(=O)N2CCCCC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid?
The InChIKey is XUAJHSYZFJOUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-5-6-11(9-12(10)13(17)18)15-14(19)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid?
2-methyl-5-(piperidine-1-carbonylamino)benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 63653011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).