2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid

C16H22N2O3 — CID 62331277

IUPAC2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
SMILESCC1CCN(C(=O)N(C)c2ccccc2C(=O)O)C(C)C1
InChIInChI=1S/C16H22N2O3/c1-11-8-9-18(12(2)10-11)16(21)17(3)14-7-5-4-6-13(14)15(19)20/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)
InChIKeyFVENYBKAWJTSFU-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.06
Rot. Bonds2

About 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid

2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid (PubChem CID 62331277) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
PubChem CID62331277
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
SMILESCC1CCN(C(=O)N(C)c2ccccc2C(=O)O)C(C)C1
InChIInChI=1S/C16H22N2O3/c1-11-8-9-18(12(2)10-11)16(21)17(3)14-7-5-4-6-13(14)15(19)20/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)
InChIKeyFVENYBKAWJTSFU-UHFFFAOYSA-N
XLogP3.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl(methyl)amino]benzoic acid
CID 115560837
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62932565
2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid
CID 62409411
2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 61186798
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 62947768
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62331471
2-[(4-ethylpiperazine-1-carbonyl)-methylamino]benzoic acid
CID 61190596
3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 63113608
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744234

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid (CID 62331277) is 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid is CC1CCN(C(=O)N(C)c2ccccc2C(=O)O)C(C)C1.
What is the InChIKey of 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
The InChIKey is FVENYBKAWJTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-8-9-18(12(2)10-11)16(21)17(3)14-7-5-4-6-13(14)15(19)20/h4-7,11-12H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid is sourced from PubChem (CID 62331277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).