N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide

C14H17N3O3 — CID 43447501

IUPACN-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
SMILESNc1ccc(NC(=O)CCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C14H17N3O3/c15-10-4-6-11(7-5-10)16-12(18)8-9-17-13(19)2-1-3-14(17)20/h4-7H,1-3,8-9,15H2,(H,16,18)
InChIKeyDJEAPCJKOPNLIR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.14
Rot. Bonds4

About N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide

N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide (PubChem CID 43447501) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
PubChem CID43447501
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
SMILESNc1ccc(NC(=O)CCN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C14H17N3O3/c15-10-4-6-11(7-5-10)16-12(18)8-9-17-13(19)2-1-3-14(17)20/h4-7H,1-3,8-9,15H2,(H,16,18)
InChIKeyDJEAPCJKOPNLIR-UHFFFAOYSA-N
XLogP1.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide 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-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide
CID 61312691
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447503
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 37193063
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
CID 17035124
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
CID 52507961
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide (CID 43447501) is N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide is Nc1ccc(NC(=O)CCN2C(=O)CCCC2=O)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
The InChIKey is DJEAPCJKOPNLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-10-4-6-11(7-5-10)16-12(18)8-9-17-13(19)2-1-3-14(17)20/h4-7H,1-3,8-9,15H2,(H,16,18).
What are the key properties of N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide?
N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide is sourced from PubChem (CID 43447501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).