2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

C25H33N3O2 — CID 9223336

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-19(2)17-21-9-11-22(12-10-21)20(3)26-24(29)18-27-13-15-28(16-14-27)25(30)23-7-5-4-6-8-23/h4-12,19-20H,13-18H2,1-3H3,(H,26,29)/t20-/m1/s1
InChIKeyRNVCYUROLSYLFX-HXUWFJFHSA-N
MW407.56 g/mol
LogP3.52
Rot. Bonds7

About 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (PubChem CID 9223336) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
PubChem CID9223336
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-19(2)17-21-9-11-22(12-10-21)20(3)26-24(29)18-27-13-15-28(16-14-27)25(30)23-7-5-4-6-8-23/h4-12,19-20H,13-18H2,1-3H3,(H,26,29)/t20-/m1/s1
InChIKeyRNVCYUROLSYLFX-HXUWFJFHSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 43055545
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 9223420
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (CID 9223336) is 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The InChIKey is RNVCYUROLSYLFX-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19(2)17-21-9-11-22(12-10-21)20(3)26-24(29)18-27-13-15-28(16-14-27)25(30)23-7-5-4-6-8-23/h4-12,19-20H,13-18H2,1-3H3,(H,26,29)/t20-/m1/s1.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 3.52, 7 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-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 9223336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).