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

C21H22N4O2 — CID 46801865

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-16(20(26)23-19-10-6-5-9-18(19)15-22)24-11-13-25(14-12-24)21(27)17-7-3-2-4-8-17/h2-10,16H,11-14H2,1H3,(H,23,26)
InChIKeyIBNYLNDIINLYRQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.34
Rot. Bonds4

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

2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide (PubChem CID 46801865) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
PubChem CID46801865
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-16(20(26)23-19-10-6-5-9-18(19)15-22)24-11-13-25(14-12-24)21(27)17-7-3-2-4-8-17/h2-10,16H,11-14H2,1H3,(H,23,26)
InChIKeyIBNYLNDIINLYRQ-UHFFFAOYSA-N
XLogP2.34
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 8853108
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide (CID 46801865) is 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide is CC(C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide?
The InChIKey is IBNYLNDIINLYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16(20(26)23-19-10-6-5-9-18(19)15-22)24-11-13-25(14-12-24)21(27)17-7-3-2-4-8-17/h2-10,16H,11-14H2,1H3,(H,23,26).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide?
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide has a molecular weight of 362.43 g/mol, XLogP of 2.34, 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-(2-cyanophenyl)propanamide is sourced from PubChem (CID 46801865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).