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

C15H20N2O4 — CID 115411549

IUPAC4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C2(C)CCNCC2)c1
InChIInChI=1S/C15H20N2O4/c1-15(5-7-16-8-6-15)14(20)17-12-9-10(21-2)3-4-11(12)13(18)19/h3-4,9,16H,5-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBGSPUNYCJHLDME-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.72
Rot. Bonds4

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

4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid (PubChem CID 115411549) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid
PubChem CID115411549
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C2(C)CCNCC2)c1
InChIInChI=1S/C15H20N2O4/c1-15(5-7-16-8-6-15)14(20)17-12-9-10(21-2)3-4-11(12)13(18)19/h3-4,9,16H,5-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBGSPUNYCJHLDME-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 ≤ 500292.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminooxolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411627
methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
CID 63121892
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid (CID 115411549) is 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid is COc1ccc(C(=O)O)c(NC(=O)C2(C)CCNCC2)c1.
What is the InChIKey of 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
The InChIKey is BGSPUNYCJHLDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(5-7-16-8-6-15)14(20)17-12-9-10(21-2)3-4-11(12)13(18)19/h3-4,9,16H,5-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid has a molecular weight of 292.33 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 4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115411549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).