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

C20H20N4O2 — CID 113114212

IUPAC4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-15(25)16-6-8-18(9-7-16)23-10-12-24(13-11-23)20(26)22-19-5-3-2-4-17(19)14-21/h2-9H,10-13H2,1H3,(H,22,26)
InChIKeyCGXHLDBDIZMGNY-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.11
Rot. Bonds3

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

4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide (PubChem CID 113114212) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
PubChem CID113114212
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-15(25)16-6-8-18(9-7-16)23-10-12-24(13-11-23)20(26)22-19-5-3-2-4-17(19)14-21/h2-9H,10-13H2,1H3,(H,22,26)
InChIKeyCGXHLDBDIZMGNY-UHFFFAOYSA-N
XLogP3.11
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113112681
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
CID 51115588
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide (CID 113114212) is 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is CGXHLDBDIZMGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15(25)16-6-8-18(9-7-16)23-10-12-24(13-11-23)20(26)22-19-5-3-2-4-17(19)14-21/h2-9H,10-13H2,1H3,(H,22,26).
What are the key properties of 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).