4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid

C15H20N2O3 — CID 104698574

IUPAC4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid
SMILESCN(C(=O)C1(C)CCNCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-15(7-9-16-10-8-15)14(20)17(2)12-5-3-11(4-6-12)13(18)19/h3-6,16H,7-10H2,1-2H3,(H,18,19)
InChIKeyDJRBUXOFOGQSKT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds3

About 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid

4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid (PubChem CID 104698574) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid
PubChem CID104698574
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid
SMILESCN(C(=O)C1(C)CCNCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-15(7-9-16-10-8-15)14(20)17(2)12-5-3-11(4-6-12)13(18)19/h3-6,16H,7-10H2,1-2H3,(H,18,19)
InChIKeyDJRBUXOFOGQSKT-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706051
4-methoxy-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 119706067
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
4-[methyl-(2-piperidin-4-yloxyacetyl)amino]benzoic acid
CID 104698715
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 86614571
N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708787
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
4-[(3-hydroxyazetidin-3-yl)methyl-methylamino]benzoic acid
CID 67370931

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid (CID 104698574) is 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid is CN(C(=O)C1(C)CCNCC1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
The InChIKey is DJRBUXOFOGQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(7-9-16-10-8-15)14(20)17(2)12-5-3-11(4-6-12)13(18)19/h3-6,16H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid?
4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylpiperidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104698574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).