5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid

C15H20N2O4 — CID 81108634

IUPAC5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)N2CCC(C)(O)CC2)cc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-3-4-11(9-12(10)13(18)19)16-14(20)17-7-5-15(2,21)6-8-17/h3-4,9,21H,5-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBONOPJBNFXJXCW-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.07
Rot. Bonds2

About 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid

5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 81108634) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
PubChem CID81108634
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)N2CCC(C)(O)CC2)cc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-3-4-11(9-12(10)13(18)19)16-14(20)17-7-5-15(2,21)6-8-17/h3-4,9,21H,5-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBONOPJBNFXJXCW-UHFFFAOYSA-N
XLogP2.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
2-methyl-5-(pyrrolidine-1-carbonylamino)benzoic acid
CID 63654397
2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
CID 63653011
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
2-hydroxy-4-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 103357278
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid (CID 81108634) is 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)N2CCC(C)(O)CC2)cc1C(=O)O.
What is the InChIKey of 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is BONOPJBNFXJXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-3-4-11(9-12(10)13(18)19)16-14(20)17-7-5-15(2,21)6-8-17/h3-4,9,21H,5-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 81108634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).