2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide

C14H20N4O2 — CID 11173445

IUPAC2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide
SMILESNc1ccc(CNC(=O)CN2CCCC(N)C2=O)cc1
InChIInChI=1S/C14H20N4O2/c15-11-5-3-10(4-6-11)8-17-13(19)9-18-7-1-2-12(16)14(18)20/h3-6,12H,1-2,7-9,15-16H2,(H,17,19)
InChIKeyUNFPEFRAWMCINP-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.17
Rot. Bonds4

About 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide

2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide (PubChem CID 11173445) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide
PubChem CID11173445
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide
SMILESNc1ccc(CNC(=O)CN2CCCC(N)C2=O)cc1
InChIInChI=1S/C14H20N4O2/c15-11-5-3-10(4-6-11)8-17-13(19)9-18-7-1-2-12(16)14(18)20/h3-6,12H,1-2,7-9,15-16H2,(H,17,19)
InChIKeyUNFPEFRAWMCINP-UHFFFAOYSA-N
XLogP-0.17
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide 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

2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 11449614
N-[(4-aminophenyl)methyl]-2-[(1S,5R,6R)-7,9-dioxo-8-azatricyclo[4.3.0.02,5]nonan-8-yl]acetamide
CID 131975063
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
CID 10583700
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
N,N'-bis[1-[(4-aminophenyl)methyl]-2-oxopiperidin-3-yl]hexanediamide
CID 11226606
tert-butyl N-[1-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]-2-oxopiperidin-3-yl]carbamate
CID 11281209
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
3-[(4-aminophenyl)methylamino]-3-oxopropanoic acid
CID 110480209

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide (CID 11173445) is 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide is Nc1ccc(CNC(=O)CN2CCCC(N)C2=O)cc1.
What is the InChIKey of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide?
The InChIKey is UNFPEFRAWMCINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-11-5-3-10(4-6-11)8-17-13(19)9-18-7-1-2-12(16)14(18)20/h3-6,12H,1-2,7-9,15-16H2,(H,17,19).
What are the key properties of 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide?
2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxopiperidin-1-yl)-N-[(4-aminophenyl)methyl]acetamide is sourced from PubChem (CID 11173445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).