4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide

C18H18N4O — CID 113081072

IUPAC4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C18H18N4O/c19-14-15-6-8-17(9-7-15)21-10-12-22(13-11-21)18(23)20-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,23)
InChIKeyZGDHZETYHOIZBF-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide

4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 113081072) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
PubChem CID113081072
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C18H18N4O/c19-14-15-6-8-17(9-7-15)21-10-12-22(13-11-21)18(23)20-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,23)
InChIKeyZGDHZETYHOIZBF-UHFFFAOYSA-N
XLogP2.91
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
methyl 3-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]benzoate
CID 3810265
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide (CID 113081072) is 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is ZGDHZETYHOIZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-14-15-6-8-17(9-7-15)21-10-12-22(13-11-21)18(23)20-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,23).
What are the key properties of 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide?
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 113081072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).