2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide

C20H22N4O4 — CID 54794666

IUPAC2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C20H22N4O4/c25-18(12-17-20(27)22-10-9-21-17)23-14-5-4-6-15(11-14)24-19(26)13-28-16-7-2-1-3-8-16/h1-8,11,17,21H,9-10,12-13H2,(H,22,27)(H,23,25)(H,24,26)
InChIKeyCMZVBYLHGZITGF-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.12
Rot. Bonds7

About 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide

2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide (PubChem CID 54794666) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
PubChem CID54794666
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C20H22N4O4/c25-18(12-17-20(27)22-10-9-21-17)23-14-5-4-6-15(11-14)24-19(26)13-28-16-7-2-1-3-8-16/h1-8,11,17,21H,9-10,12-13H2,(H,22,27)(H,23,25)(H,24,26)
InChIKeyCMZVBYLHGZITGF-UHFFFAOYSA-N
XLogP1.12
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]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-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54794685
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794746
N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 54794634
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 944506
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 2987992
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxyacetamide
CID 167939156
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide (CID 54794666) is 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide is O=C(COc1ccccc1)Nc1cccc(NC(=O)CC2NCCNC2=O)c1.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide?
The InChIKey is CMZVBYLHGZITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18(12-17-20(27)22-10-9-21-17)23-14-5-4-6-15(11-14)24-19(26)13-28-16-7-2-1-3-8-16/h1-8,11,17,21H,9-10,12-13H2,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide?
2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 54794666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).