2-(1-methylpiperidine-4-carbonyl)benzoic acid

C14H17NO3 — CID 116836422

IUPAC2-(1-methylpiperidine-4-carbonyl)benzoic acid
SMILESCN1CCC(C(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c1-15-8-6-10(7-9-15)13(16)11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyATZRGNWUBXJYMZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-methylpiperidine-4-carbonyl)benzoic acid

2-(1-methylpiperidine-4-carbonyl)benzoic acid (PubChem CID 116836422) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(1-methylpiperidine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(1-methylpiperidine-4-carbonyl)benzoic acid
PubChem CID116836422
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(1-methylpiperidine-4-carbonyl)benzoic acid
SMILESCN1CCC(C(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c1-15-8-6-10(7-9-15)13(16)11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyATZRGNWUBXJYMZ-UHFFFAOYSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
CID 58228571
4-(2-propan-2-ylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722485
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidine-4-carbonyl)benzoic acid?
The IUPAC name of 2-(1-methylpiperidine-4-carbonyl)benzoic acid (CID 116836422) is 2-(1-methylpiperidine-4-carbonyl)benzoic acid.
What is the SMILES notation for 2-(1-methylpiperidine-4-carbonyl)benzoic acid?
The canonical SMILES for 2-(1-methylpiperidine-4-carbonyl)benzoic acid is CN1CCC(C(=O)c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-(1-methylpiperidine-4-carbonyl)benzoic acid?
The InChIKey is ATZRGNWUBXJYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15-8-6-10(7-9-15)13(16)11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(1-methylpiperidine-4-carbonyl)benzoic acid?
2-(1-methylpiperidine-4-carbonyl)benzoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidine-4-carbonyl)benzoic acid is sourced from PubChem (CID 116836422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).