(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C25H25FN2O — CID 95242619

IUPAC(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C25H25FN2O/c1-19(21-12-13-23(24(26)18-21)20-8-4-2-5-9-20)25(29)28-16-14-27(15-17-28)22-10-6-3-7-11-22/h2-13,18-19H,14-17H2,1H3/t19-/m0/s1
InChIKeyUNIQTAHDEBNTBX-IBGZPJMESA-N
MW388.49 g/mol
LogP4.95
Rot. Bonds4

About (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 95242619) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID95242619
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C25H25FN2O/c1-19(21-12-13-23(24(26)18-21)20-8-4-2-5-9-20)25(29)28-16-14-27(15-17-28)22-10-6-3-7-11-22/h2-13,18-19H,14-17H2,1H3/t19-/m0/s1
InChIKeyUNIQTAHDEBNTBX-IBGZPJMESA-N
XLogP4.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 95242620
4-benzhydryloxy-5-[4-[2-(3-fluoro-4-phenylphenyl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 25015704
1-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-(3-fluoro-4-phenylphenyl)propan-1-one
CID 138381832
9-[(2R)-2-(3-fluoro-4-phenylphenyl)propanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 95194454
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348672
(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one
CID 167299178
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2S)-2-(3-fluoro-4-phenylphenyl)propanoate;[(1S)-1-phenylethyl]azanium
CID 139088547
(3R)-3-(3-fluoro-4-phenylphenyl)-1-[(4S)-oxepan-4-yl]butan-2-one
CID 143527517
(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 985824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 95242619) is (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is C[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is UNIQTAHDEBNTBX-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25FN2O/c1-19(21-12-13-23(24(26)18-21)20-8-4-2-5-9-20)25(29)28-16-14-27(15-17-28)22-10-6-3-7-11-22/h2-13,18-19H,14-17H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 388.49 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 95242619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).