2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide

C20H20N4O2 — CID 9223598

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N4O2/c21-14-16-6-8-18(9-7-16)22-19(25)15-23-10-12-24(13-11-23)20(26)17-4-2-1-3-5-17/h1-9H,10-13,15H2,(H,22,25)
InChIKeyOKGUCCNKGMWEKN-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide (PubChem CID 9223598) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
PubChem CID9223598
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N4O2/c21-14-16-6-8-18(9-7-16)22-19(25)15-23-10-12-24(13-11-23)20(26)17-4-2-1-3-5-17/h1-9H,10-13,15H2,(H,22,25)
InChIKeyOKGUCCNKGMWEKN-UHFFFAOYSA-N
XLogP1.95
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823914
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
CID 9223268

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide (CID 9223598) is 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide?
The InChIKey is OKGUCCNKGMWEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-14-16-6-8-18(9-7-16)22-19(25)15-23-10-12-24(13-11-23)20(26)17-4-2-1-3-5-17/h1-9H,10-13,15H2,(H,22,25).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 9223598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).