(3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide

C15H18N4O4 — CID 7336083

IUPAC(3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1CCCNC1=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O4/c1-9-5-6-11(8-13(9)19(22)23)10(2)17-18-15(21)12-4-3-7-16-14(12)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,20)(H,18,21)/b17-10+/t12-/m1/s1
InChIKeyMOSMKDBUKMWQRG-YXHQGMJNSA-N
MW318.33 g/mol
LogP1.27
Rot. Bonds4

About (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide

(3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 7336083) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID7336083
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name(3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1CCCNC1=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O4/c1-9-5-6-11(8-13(9)19(22)23)10(2)17-18-15(21)12-4-3-7-16-14(12)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,20)(H,18,21)/b17-10+/t12-/m1/s1
InChIKeyMOSMKDBUKMWQRG-YXHQGMJNSA-N
XLogP1.27
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-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-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
CID 6272511
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4249244
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6265756
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
N-[1-(4-ethylphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 840460
4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 55084346
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6034623
(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 135830680
2,5-dimethyl-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-1-phenylpyrrole-3-carboxamide
CID 7929423

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide (CID 7336083) is (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide is C/C(=N\NC(=O)[C@@H]1CCCNC1=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is MOSMKDBUKMWQRG-YXHQGMJNSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-9-5-6-11(8-13(9)19(22)23)10(2)17-18-15(21)12-4-3-7-16-14(12)20/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,20)(H,18,21)/b17-10+/t12-/m1/s1.
What are the key properties of (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide?
(3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 7336083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).