4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid

C15H20N2O4 — CID 114679455

IUPAC4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C15H20N2O4/c1-9-7-11(14(19)20)3-4-12(9)16-15(21)17-6-5-13(18)10(2)8-17/h3-4,7,10,13,18H,5-6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyJMUYHDHMOYPAKV-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.93
Rot. Bonds2

About 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid

4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 114679455) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
PubChem CID114679455
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C15H20N2O4/c1-9-7-11(14(19)20)3-4-12(9)16-15(21)17-6-5-13(18)10(2)8-17/h3-4,7,10,13,18H,5-6,8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyJMUYHDHMOYPAKV-UHFFFAOYSA-N
XLogP1.93
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679494
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid
CID 114679454
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 114679601
4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62122751
4-bromo-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679432
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-chloro-3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoic acid
CID 104959706
3-methyl-N-(2-methyl-4-phenylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 86877138
3-bromo-4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670643
N-(5-bromo-2-pyrrolidin-1-ylphenyl)-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 167768068
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid (CID 114679455) is 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)N1CCC(O)C(C)C1.
What is the InChIKey of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is JMUYHDHMOYPAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-7-11(14(19)20)3-4-12(9)16-15(21)17-6-5-13(18)10(2)8-17/h3-4,7,10,13,18H,5-6,8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 114679455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).