2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone

C25H26N2O — CID 10339151

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H26N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2
InChIKeyRUIPPYUNGPJYMB-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone

2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone (PubChem CID 10339151) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
PubChem CID10339151
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H26N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2
InChIKeyRUIPPYUNGPJYMB-UHFFFAOYSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 69203034
2-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68930763
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
(2S)-4-(4-benzhydrylpiperazin-1-yl)-3-oxo-2-phenylbutanenitrile
CID 7689327
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 31338650
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone (CID 10339151) is 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone?
The InChIKey is RUIPPYUNGPJYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone?
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone has a molecular weight of 370.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone is sourced from PubChem (CID 10339151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).