2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile

C22H24N4O2 — CID 70705740

IUPAC2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(Cc2cccc(N3CCOCC3)c2)CC1=O
InChIInChI=1S/C22H24N4O2/c23-15-19-5-1-2-7-21(19)26-9-8-24(17-22(26)27)16-18-4-3-6-20(14-18)25-10-12-28-13-11-25/h1-7,14H,8-13,16-17H2
InChIKeySYHFOHJMJLEEOI-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.24
Rot. Bonds4

About 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile

2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile (PubChem CID 70705740) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile
PubChem CID70705740
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(Cc2cccc(N3CCOCC3)c2)CC1=O
InChIInChI=1S/C22H24N4O2/c23-15-19-5-1-2-7-21(19)26-9-8-24(17-22(26)27)16-18-4-3-6-20(14-18)25-10-12-28-13-11-25/h1-7,14H,8-13,16-17H2
InChIKeySYHFOHJMJLEEOI-UHFFFAOYSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile (CID 70705740) is 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(Cc2cccc(N3CCOCC3)c2)CC1=O.
What is the InChIKey of 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile?
The InChIKey is SYHFOHJMJLEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-15-19-5-1-2-7-21(19)26-9-8-24(17-22(26)27)16-18-4-3-6-20(14-18)25-10-12-28-13-11-25/h1-7,14H,8-13,16-17H2.
What are the key properties of 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile?
2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile has a molecular weight of 376.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-morpholin-4-ylphenyl)methyl]-2-oxopiperazin-1-yl]benzonitrile is sourced from PubChem (CID 70705740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).