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

C20H22N4O2 — CID 113113758

IUPACN-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-26-18-9-7-17(8-10-18)23-11-13-24(14-12-23)20(25)22-19-6-4-3-5-16(19)15-21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyGWZAEULSOWBFCT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds4

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

N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113758) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113113758
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-26-18-9-7-17(8-10-18)23-11-13-24(14-12-23)20(25)22-19-6-4-3-5-16(19)15-21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyGWZAEULSOWBFCT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113112681
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113752
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
4-(3-cyano-6-ethoxyquinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 7390693
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 113113758) is N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is GWZAEULSOWBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-26-18-9-7-17(8-10-18)23-11-13-24(14-12-23)20(25)22-19-6-4-3-5-16(19)15-21/h3-10H,2,11-14H2,1H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-(4-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-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).