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

C16H22N2O3 — CID 62947768

IUPAC3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)N2CCC(C)CC2C)cccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10-7-8-18(11(2)9-10)16(21)17-14-6-4-5-13(12(14)3)15(19)20/h4-6,10-11H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDFOMHEHNHPDHGG-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.35
Rot. Bonds2

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

3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 62947768) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
PubChem CID62947768
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)N2CCC(C)CC2C)cccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10-7-8-18(11(2)9-10)16(21)17-14-6-4-5-13(12(14)3)15(19)20/h4-6,10-11H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDFOMHEHNHPDHGG-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

2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62331471
3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 63113608
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 63111965
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 62331665
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63604057
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
3-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
CID 166202579
2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62331277
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 97283810
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid (CID 62947768) is 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid is Cc1c(NC(=O)N2CCC(C)CC2C)cccc1C(=O)O.
What is the InChIKey of 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is DFOMHEHNHPDHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-8-18(11(2)9-10)16(21)17-14-6-4-5-13(12(14)3)15(19)20/h4-6,10-11H,7-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid?
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-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 3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 62947768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).