2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide

C20H22N4O — CID 31692602

IUPAC2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESN#Cc1cccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C20H22N4O/c21-14-17-5-4-6-18(13-17)15-23-9-11-24(12-10-23)16-20(25)22-19-7-2-1-3-8-19/h1-8,13H,9-12,15-16H2,(H,22,25)
InChIKeyAUVUHPQLDNVNIS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.31
Rot. Bonds5

About 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 31692602) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID31692602
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESN#Cc1cccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C20H22N4O/c21-14-17-5-4-6-18(13-17)15-23-9-11-24(12-10-23)16-20(25)22-19-7-2-1-3-8-19/h1-8,13H,9-12,15-16H2,(H,22,25)
InChIKeyAUVUHPQLDNVNIS-UHFFFAOYSA-N
XLogP2.31
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide 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-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)acetamide
CID 55362309
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25498632
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide (CID 31692602) is 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide is N#Cc1cccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is AUVUHPQLDNVNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-14-17-5-4-6-18(13-17)15-23-9-11-24(12-10-23)16-20(25)22-19-7-2-1-3-8-19/h1-8,13H,9-12,15-16H2,(H,22,25).
What are the key properties of 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31692602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).