2-benzamidopiperidine-1-carboxylic acid

C13H16N2O3 — CID 151585360

IUPAC2-benzamidopiperidine-1-carboxylic acid
SMILESO=C(NC1CCCCN1C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(10-6-2-1-3-7-10)14-11-8-4-5-9-15(11)13(17)18/h1-3,6-7,11H,4-5,8-9H2,(H,14,16)(H,17,18)
InChIKeyQHJLNLQRPFRVNI-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.91
Rot. Bonds2

About 2-benzamidopiperidine-1-carboxylic acid

2-benzamidopiperidine-1-carboxylic acid (PubChem CID 151585360) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-benzamidopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-benzamidopiperidine-1-carboxylic acid
PubChem CID151585360
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-benzamidopiperidine-1-carboxylic acid
SMILESO=C(NC1CCCCN1C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(10-6-2-1-3-7-10)14-11-8-4-5-9-15(11)13(17)18/h1-3,6-7,11H,4-5,8-9H2,(H,14,16)(H,17,18)
InChIKeyQHJLNLQRPFRVNI-UHFFFAOYSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-benzoylpiperidin-2-yl]-4-methylbenzamide
CID 68592767
N-(1-cyclopentylpyrrolidin-2-yl)benzamide
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2-(benzylamino)azepane-1-carboxylic acid
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4-cyclopentyl-2-(naphthalene-2-carbonylamino)piperidine-1-carboxylic acid
CID 70011318
N-(1-benzylpiperidin-2-yl)-4-hydroxybenzamide
CID 141121427
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
2-(4-fluoroanilino)piperidine-1-carboxylic acid
CID 90887307
N-(oxan-2-yl)benzamide
CID 3717262
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316

Frequently Asked Questions

What is the IUPAC name of 2-benzamidopiperidine-1-carboxylic acid?
The IUPAC name of 2-benzamidopiperidine-1-carboxylic acid (CID 151585360) is 2-benzamidopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-benzamidopiperidine-1-carboxylic acid?
The canonical SMILES for 2-benzamidopiperidine-1-carboxylic acid is O=C(NC1CCCCN1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamidopiperidine-1-carboxylic acid?
The InChIKey is QHJLNLQRPFRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(10-6-2-1-3-7-10)14-11-8-4-5-9-15(11)13(17)18/h1-3,6-7,11H,4-5,8-9H2,(H,14,16)(H,17,18).
What are the key properties of 2-benzamidopiperidine-1-carboxylic acid?
2-benzamidopiperidine-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidopiperidine-1-carboxylic acid is sourced from PubChem (CID 151585360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).