2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid

C15H20N2O3 — CID 63652481

IUPAC2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)N2CCCC(C)C2)cc1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-4-3-7-17(9-10)15(20)16-12-6-5-11(2)13(8-12)14(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRUHFTRSIKCHZOW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.96
Rot. Bonds2

About 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid

2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 63652481) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID63652481
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)N2CCCC(C)C2)cc1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-10-4-3-7-17(9-10)15(20)16-12-6-5-11(2)13(8-12)14(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRUHFTRSIKCHZOW-UHFFFAOYSA-N
XLogP2.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
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
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807443
N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
CID 106912818
5-iodo-2-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63111649
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
CID 79159528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid (CID 63652481) is 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)N2CCCC(C)C2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is RUHFTRSIKCHZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-3-7-17(9-10)15(20)16-12-6-5-11(2)13(8-12)14(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid?
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63652481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).