2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid

C16H22N2O3 — CID 62331471

IUPAC2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)N1CCC(C)CC1C
InChIInChI=1S/C16H22N2O3/c1-10-7-8-18(12(3)9-10)16(21)17-14-11(2)5-4-6-13(14)15(19)20/h4-6,10,12H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWSGJFQFFWJZACO-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.35
Rot. Bonds2

About 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid

2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 62331471) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
PubChem CID62331471
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)N1CCC(C)CC1C
InChIInChI=1S/C16H22N2O3/c1-10-7-8-18(12(3)9-10)16(21)17-14-11(2)5-4-6-13(14)15(19)20/h4-6,10,12H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWSGJFQFFWJZACO-UHFFFAOYSA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 63113608
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 62947768
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 62331665
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 63111965
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 107601848
3-fluoro-2-[(2-methylazepane-1-carbonyl)amino]benzoic acid
CID 81499089
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid (CID 62331471) is 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is WSGJFQFFWJZACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-8-18(12(3)9-10)16(21)17-14-11(2)5-4-6-13(14)15(19)20/h4-6,10,12H,7-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid?
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 62331471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).