N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide

C20H21N3O3 — CID 18584460

IUPACN-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H21N3O3/c24-18-11-4-5-12-23(18)17-10-6-9-16(13-17)22-20(26)19(25)21-14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,25)(H,22,26)
InChIKeyVELPDIQXHZOHCX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.46
Rot. Bonds4

About N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide

N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide (PubChem CID 18584460) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
PubChem CID18584460
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H21N3O3/c24-18-11-4-5-12-23(18)17-10-6-9-16(13-17)22-20(26)19(25)21-14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,25)(H,22,26)
InChIKeyVELPDIQXHZOHCX-UHFFFAOYSA-N
XLogP2.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide 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-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584418
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 121019150
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
2-(4-bromophenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46425011

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide (CID 18584460) is N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide is O=C(NCc1ccccc1)C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The InChIKey is VELPDIQXHZOHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-11-4-5-12-23(18)17-10-6-9-16(13-17)22-20(26)19(25)21-14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,25)(H,22,26).
What are the key properties of N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide has a molecular weight of 351.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 18584460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).