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

C20H22N4O — CID 113112068

IUPAC4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C20H22N4O/c1-2-17-7-3-4-9-19(17)22-20(25)24-12-10-23(11-13-24)18-8-5-6-16(14-18)15-21/h3-9,14H,2,10-13H2,1H3,(H,22,25)
InChIKeyNSVUUZDWLAIZAR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds3

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

4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide (PubChem CID 113112068) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
PubChem CID113112068
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C20H22N4O/c1-2-17-7-3-4-9-19(17)22-20(25)24-12-10-23(11-13-24)18-8-5-6-16(14-18)15-21/h3-9,14H,2,10-13H2,1H3,(H,22,25)
InChIKeyNSVUUZDWLAIZAR-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

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Related Compounds

4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112062
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide (CID 113112068) is 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(c2cccc(C#N)c2)CC1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is NSVUUZDWLAIZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-17-7-3-4-9-19(17)22-20(25)24-12-10-23(11-13-24)18-8-5-6-16(14-18)15-21/h3-9,14H,2,10-13H2,1H3,(H,22,25).
What are the key properties of 4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
4-(3-cyanophenyl)-N-(2-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-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).