N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide

C20H22N4O2 — CID 113113682

IUPACN-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C20H22N4O2/c1-2-26-19-9-4-3-8-18(19)23-10-12-24(13-11-23)20(25)22-17-7-5-6-16(14-17)15-21/h3-9,14H,2,10-13H2,1H3,(H,22,25)
InChIKeyZMUKNNGDEPMHKL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds4

About N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide

N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113682) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113113682
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C20H22N4O2/c1-2-26-19-9-4-3-8-18(19)23-10-12-24(13-11-23)20(25)22-17-7-5-6-16(14-17)15-21/h3-9,14H,2,10-13H2,1H3,(H,22,25)
InChIKeyZMUKNNGDEPMHKL-UHFFFAOYSA-N
XLogP3.31
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-4-(2-ethoxyphenyl)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

N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113114825
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 154737898
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 113113682) is N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is ZMUKNNGDEPMHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-26-19-9-4-3-8-18(19)23-10-12-24(13-11-23)20(25)22-17-7-5-6-16(14-17)15-21/h3-9,14H,2,10-13H2,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).