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

C15H19ClN2O3 — CID 61189699

IUPAC5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCC(C)N1C(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-9-4-3-5-10(2)18(9)15(21)17-13-7-6-11(16)8-12(13)14(19)20/h6-10H,3-5H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMOOXYJVITHELLS-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.83
Rot. Bonds2

About 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid

5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61189699) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61189699
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCC(C)N1C(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-9-4-3-5-10(2)18(9)15(21)17-13-7-6-11(16)8-12(13)14(19)20/h6-10H,3-5H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMOOXYJVITHELLS-UHFFFAOYSA-N
XLogP3.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074006
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747
N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide
CID 95931919
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 97023352
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide
CID 112820697
N-[4-chloro-2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 97023347
5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074188
5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 61186602

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid (CID 61189699) is 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid is CC1CCCC(C)N1C(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is MOOXYJVITHELLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-4-3-5-10(2)18(9)15(21)17-13-7-6-11(16)8-12(13)14(19)20/h6-10H,3-5H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 310.78 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61189699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).