1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

C27H27FN2O2 — CID 55657332

IUPAC1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H27FN2O2/c28-24-13-11-21(12-14-24)19-26(31)29-15-17-30(18-16-29)27(32)20-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2
InChIKeySJLZNRQHHGFXBD-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.26
Rot. Bonds6

About 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 55657332) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID55657332
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H27FN2O2/c28-24-13-11-21(12-14-24)19-26(31)29-15-17-30(18-16-29)27(32)20-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2
InChIKeySJLZNRQHHGFXBD-UHFFFAOYSA-N
XLogP4.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
CID 163876395
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119949792
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949791
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 55657332) is 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is O=C(Cc1ccc(F)cc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is SJLZNRQHHGFXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2/c28-24-13-11-21(12-14-24)19-26(31)29-15-17-30(18-16-29)27(32)20-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2.
What are the key properties of 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 430.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 55657332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).