4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide

C20H22N4O — CID 113112174

IUPAC4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-2-16-7-9-18(10-8-16)22-20(25)24-13-11-23(12-14-24)19-6-4-3-5-17(19)15-21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyWTVVQORPCDJNEF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds3

About 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide

4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 113112174) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID113112174
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-2-16-7-9-18(10-8-16)22-20(25)24-13-11-23(12-14-24)19-6-4-3-5-17(19)15-21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyWTVVQORPCDJNEF-UHFFFAOYSA-N
XLogP3.47
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide 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

4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 166250869
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
CID 3799231
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996
ethyl 4-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 1245050
4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109233
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 113112174) is 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1.
What is the InChIKey of 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is WTVVQORPCDJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-16-7-9-18(10-8-16)22-20(25)24-13-11-23(12-14-24)19-6-4-3-5-17(19)15-21/h3-10H,2,11-14H2,1H3,(H,22,25).
What are the key properties of 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).