5-benzamidopiperidine-2-carboxylic acid

C13H16N2O3 — CID 66965508

IUPAC5-benzamidopiperidine-2-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)NC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(9-4-2-1-3-5-9)15-10-6-7-11(13(17)18)14-8-10/h1-5,10-11,14H,6-8H2,(H,15,16)(H,17,18)
InChIKeyIPXFGRMKKAXRJN-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.62
Rot. Bonds3

About 5-benzamidopiperidine-2-carboxylic acid

5-benzamidopiperidine-2-carboxylic acid (PubChem CID 66965508) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-benzamidopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-benzamidopiperidine-2-carboxylic acid
PubChem CID66965508
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-benzamidopiperidine-2-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)NC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(9-4-2-1-3-5-9)15-10-6-7-11(13(17)18)14-8-10/h1-5,10-11,14H,6-8H2,(H,15,16)(H,17,18)
InChIKeyIPXFGRMKKAXRJN-UHFFFAOYSA-N
XLogP0.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
N-piperidin-3-ylbenzamide
CID 22017045
(4-nitrophenyl)methyl (2R,5S)-5-benzamidopiperidine-2-carboxylate
CID 66871344
N-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid
CID 67392953
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-(3-bromocyclopentyl)benzamide
CID 175209749
N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299

Frequently Asked Questions

What is the IUPAC name of 5-benzamidopiperidine-2-carboxylic acid?
The IUPAC name of 5-benzamidopiperidine-2-carboxylic acid (CID 66965508) is 5-benzamidopiperidine-2-carboxylic acid.
What is the SMILES notation for 5-benzamidopiperidine-2-carboxylic acid?
The canonical SMILES for 5-benzamidopiperidine-2-carboxylic acid is O=C(NC1CCC(C(=O)O)NC1)c1ccccc1.
What is the InChIKey of 5-benzamidopiperidine-2-carboxylic acid?
The InChIKey is IPXFGRMKKAXRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(9-4-2-1-3-5-9)15-10-6-7-11(13(17)18)14-8-10/h1-5,10-11,14H,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 5-benzamidopiperidine-2-carboxylic acid?
5-benzamidopiperidine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamidopiperidine-2-carboxylic acid is sourced from PubChem (CID 66965508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).