5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid

C15H20N2O4 — CID 114424357

IUPAC5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)C2CC(C)CCN2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9-5-6-16-13(7-9)14(18)17-12-4-3-10(21-2)8-11(12)15(19)20/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFMABCGIWSUFOKB-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.72
Rot. Bonds4

About 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid

5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid (PubChem CID 114424357) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
PubChem CID114424357
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)C2CC(C)CCN2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9-5-6-16-13(7-9)14(18)17-12-4-3-10(21-2)8-11(12)15(19)20/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFMABCGIWSUFOKB-UHFFFAOYSA-N
XLogP1.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide
CID 114423073
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
4-bromo-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114423645
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120625991
methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
CID 114423164
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
CID 115410893
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid (CID 114424357) is 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid is COc1ccc(NC(=O)C2CC(C)CCN2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid?
The InChIKey is FMABCGIWSUFOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-5-6-16-13(7-9)14(18)17-12-4-3-10(21-2)8-11(12)15(19)20/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid?
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114424357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).