2-(3-aminopiperidine-1-carbonyl)benzoic acid

C13H16N2O3 — CID 61403703

IUPAC2-(3-aminopiperidine-1-carbonyl)benzoic acid
SMILESNC1CCCN(C(=O)c2ccccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c14-9-4-3-7-15(8-9)12(16)10-5-1-2-6-11(10)13(17)18/h1-2,5-6,9H,3-4,7-8,14H2,(H,17,18)
InChIKeyGBMDHNXUYHFKEI-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.95
Rot. Bonds2

About 2-(3-aminopiperidine-1-carbonyl)benzoic acid

2-(3-aminopiperidine-1-carbonyl)benzoic acid (PubChem CID 61403703) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3-aminopiperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(3-aminopiperidine-1-carbonyl)benzoic acid
PubChem CID61403703
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3-aminopiperidine-1-carbonyl)benzoic acid
SMILESNC1CCCN(C(=O)c2ccccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c14-9-4-3-7-15(8-9)12(16)10-5-1-2-6-11(10)13(17)18/h1-2,5-6,9H,3-4,7-8,14H2,(H,17,18)
InChIKeyGBMDHNXUYHFKEI-UHFFFAOYSA-N
XLogP0.95
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
2-[3-(methylsulfanylmethyl)piperidine-1-carbonyl]benzoic acid
CID 121498037
[(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone
CID 144636179
[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone
CID 124593236
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
(3-aminopiperidin-1-yl)-(1-methylindol-7-yl)methanone
CID 112531045
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidine-1-carbonyl)benzoic acid?
The IUPAC name of 2-(3-aminopiperidine-1-carbonyl)benzoic acid (CID 61403703) is 2-(3-aminopiperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(3-aminopiperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(3-aminopiperidine-1-carbonyl)benzoic acid is NC1CCCN(C(=O)c2ccccc2C(=O)O)C1.
What is the InChIKey of 2-(3-aminopiperidine-1-carbonyl)benzoic acid?
The InChIKey is GBMDHNXUYHFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-9-4-3-7-15(8-9)12(16)10-5-1-2-6-11(10)13(17)18/h1-2,5-6,9H,3-4,7-8,14H2,(H,17,18).
What are the key properties of 2-(3-aminopiperidine-1-carbonyl)benzoic acid?
2-(3-aminopiperidine-1-carbonyl)benzoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 61403703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).