(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide

C13H15N3O2 — CID 92901523

IUPAC(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@H]1C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C13H15N3O2/c17-12-11(7-4-8-14-12)13(18)16-15-9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,14,17)(H,16,18)/b15-9+/t11-/m1/s1
InChIKeyQIQUQVCYBQVNJV-BTAWCLGRSA-N
MW245.28 g/mol
LogP0.66
Rot. Bonds3

About (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide

(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 92901523) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID92901523
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@H]1C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C13H15N3O2/c17-12-11(7-4-8-14-12)13(18)16-15-9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,14,17)(H,16,18)/b15-9+/t11-/m1/s1
InChIKeyQIQUQVCYBQVNJV-BTAWCLGRSA-N
XLogP0.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 3806839
(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5403260
N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5150269
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 135830680
(3S)-2-oxo-N-[(2R)-1-phenylpropan-2-yl]piperidine-3-carboxamide
CID 806483
3-benzoylazepan-2-one
CID 569544
N-[(E)-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 16766952
7-oxo-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-8-carboxylic acid
CID 54582069
2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 3137671
(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide
CID 7046052
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide (CID 92901523) is (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide is O=C1NCCC[C@H]1C(=O)N/N=C/c1ccccc1.
What is the InChIKey of (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is QIQUQVCYBQVNJV-BTAWCLGRSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-11(7-4-8-14-12)13(18)16-15-9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,14,17)(H,16,18)/b15-9+/t11-/m1/s1.
What are the key properties of (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide?
(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 92901523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).