(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one

C25H25FN2O — CID 27153354

IUPAC(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O/c26-22-13-11-21(12-14-22)25(29)19-24(20-7-3-1-4-8-20)28-17-15-27(16-18-28)23-9-5-2-6-10-23/h1-14,24H,15-19H2/t24-/m0/s1
InChIKeyZQMHKZFWWMFSAS-DEOSSOPVSA-N
MW388.49 g/mol
LogP4.96
Rot. Bonds6

About (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one

(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 27153354) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID27153354
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O/c26-22-13-11-21(12-14-22)25(29)19-24(20-7-3-1-4-8-20)28-17-15-27(16-18-28)23-9-5-2-6-10-23/h1-14,24H,15-19H2/t24-/m0/s1
InChIKeyZQMHKZFWWMFSAS-DEOSSOPVSA-N
XLogP4.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866
1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine
CID 143935538
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-fluorobenzamide
CID 27564165
N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 43956934
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
(3S)-1-(4-fluorophenyl)-3-phenylpent-4-yn-1-one
CID 11982832
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one (CID 27153354) is (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one is O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is ZQMHKZFWWMFSAS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN2O/c26-22-13-11-21(12-14-22)25(29)19-24(20-7-3-1-4-8-20)28-17-15-27(16-18-28)23-9-5-2-6-10-23/h1-14,24H,15-19H2/t24-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one?
(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 388.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 27153354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).