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

C16H21N3O3 — CID 30679921

IUPACN'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C16H21N3O3/c1-2-9-17-15(21)16(22)18-12-6-5-7-13(11-12)19-10-4-3-8-14(19)20/h5-7,11H,2-4,8-10H2,1H3,(H,17,21)(H,18,22)
InChIKeySOTRPAHOYJDDIZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.67
Rot. Bonds4

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

N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide (PubChem CID 30679921) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
PubChem CID30679921
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C16H21N3O3/c1-2-9-17-15(21)16(22)18-12-6-5-7-13(11-12)19-10-4-3-8-14(19)20/h5-7,11H,2-4,8-10H2,1H3,(H,17,21)(H,18,22)
InChIKeySOTRPAHOYJDDIZ-UHFFFAOYSA-N
XLogP1.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide 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-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
N-[(3-methoxythiolan-3-yl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 90584498
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121054613
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide?
The IUPAC name of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide (CID 30679921) is N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide.
What is the SMILES notation for N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide?
The canonical SMILES for N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide is CCCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide?
The InChIKey is SOTRPAHOYJDDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-9-17-15(21)16(22)18-12-6-5-7-13(11-12)19-10-4-3-8-14(19)20/h5-7,11H,2-4,8-10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide?
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide has a molecular weight of 303.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide is sourced from PubChem (CID 30679921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).