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

C16H22N2O3 — CID 62932565

IUPAC2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
SMILESCN(C(=O)N1CCC(C)(C)CC1)c1ccccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-16(2)8-10-18(11-9-16)15(21)17(3)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
InChIKeyGFNYJRNNQYBVJZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.06
Rot. Bonds2

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

2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid (PubChem CID 62932565) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
PubChem CID62932565
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
SMILESCN(C(=O)N1CCC(C)(C)CC1)c1ccccc1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-16(2)8-10-18(11-9-16)15(21)17(3)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
InChIKeyGFNYJRNNQYBVJZ-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-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 61186798
2-[(4-ethylpiperazine-1-carbonyl)-methylamino]benzoic acid
CID 61190596
2-[3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl(methyl)amino]benzoic acid
CID 115560837
2-[methyl(1,4-oxazepane-4-carbonyl)amino]benzoic acid
CID 62968689
2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64693902
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62331277
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide
CID 80703132
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid (CID 62932565) is 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid is CN(C(=O)N1CCC(C)(C)CC1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
The InChIKey is GFNYJRNNQYBVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2)8-10-18(11-9-16)15(21)17(3)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid?
2-[(4,4-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-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid is sourced from PubChem (CID 62932565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).