4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid

C15H20N2O3 — CID 61191051

IUPAC4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCC(C)N1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-4-3-5-11(2)17(10)15(20)16-13-8-6-12(7-9-13)14(18)19/h6-11H,3-5H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUCVBJCYHVHCHTK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.18
Rot. Bonds2

About 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid

4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61191051) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61191051
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCC(C)N1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-4-3-5-11(2)17(10)15(20)16-13-8-6-12(7-9-13)14(18)19/h6-11H,3-5H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUCVBJCYHVHCHTK-UHFFFAOYSA-N
XLogP3.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
2,6-dimethyl-N-pyridin-4-ylpiperidine-1-carboxamide
CID 110706464
4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid
CID 83016312
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-(3-hydroxyphenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 108895797
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
5-bromo-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074006

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid (CID 61191051) is 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid is CC1CCCC(C)N1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is UCVBJCYHVHCHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-3-5-11(2)17(10)15(20)16-13-8-6-12(7-9-13)14(18)19/h6-11H,3-5H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61191051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).