2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide

C23H29N3O2 — CID 18085911

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)C(C)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-9-11-21(12-10-19)24-22(27)18(3)25-13-15-26(16-14-25)23(28)20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3,(H,24,27)
InChIKeyZPJYIHCSLOTWIW-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide

2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 18085911) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID18085911
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)C(C)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-9-11-21(12-10-19)24-22(27)18(3)25-13-15-26(16-14-25)23(28)20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3,(H,24,27)
InChIKeyZPJYIHCSLOTWIW-UHFFFAOYSA-N
XLogP3.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 31375794
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
CID 55574544
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
CID 91340917
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 18085911) is 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)C(C)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is ZPJYIHCSLOTWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)19-9-11-21(12-10-19)24-22(27)18(3)25-13-15-26(16-14-25)23(28)20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide?
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 18085911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).