(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

C13H14BrN3O2 — CID 5403260

IUPAC(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@H]1C(=O)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O2/c14-10-5-3-9(4-6-10)8-16-17-13(19)11-2-1-7-15-12(11)18/h3-6,8,11H,1-2,7H2,(H,15,18)(H,17,19)/b16-8-/t11-/m1/s1
InChIKeyMDKUBXMAHBZYSG-OUZNOSRWSA-N
MW324.18 g/mol
LogP1.43
Rot. Bonds3

About (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 5403260) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID5403260
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@H]1C(=O)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O2/c14-10-5-3-9(4-6-10)8-16-17-13(19)11-2-1-7-15-12(11)18/h3-6,8,11H,1-2,7H2,(H,15,18)(H,17,19)/b16-8-/t11-/m1/s1
InChIKeyMDKUBXMAHBZYSG-OUZNOSRWSA-N
XLogP1.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.43
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'}

Analyze (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 3806839
(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide
CID 92901523
N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5150269
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 135830680
(1R,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 6738899
(1S,4Z,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 7348527
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
N-[(E)-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 16766952
trans-(1R,2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6552897
cis-(1R,2S)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975061

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (CID 5403260) is (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is O=C1NCCC[C@H]1C(=O)N/N=C\c1ccc(Br)cc1.
What is the InChIKey of (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is MDKUBXMAHBZYSG-OUZNOSRWSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-5-3-9(4-6-10)8-16-17-13(19)11-2-1-7-15-12(11)18/h3-6,8,11H,1-2,7H2,(H,15,18)(H,17,19)/b16-8-/t11-/m1/s1.
What are the key properties of (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 5403260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).