(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one

C24H23FN2O2 — CID 93290605

IUPAC(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1Cc1ccccc1F
InChIInChI=1S/C24H23FN2O2/c1-18-24(28)27(16-15-26(18)17-19-7-5-6-10-23(19)25)20-11-13-22(14-12-20)29-21-8-3-2-4-9-21/h2-14,18H,15-17H2,1H3/t18-/m0/s1
InChIKeyNVTPZHYGWZDTGY-SFHVURJKSA-N
MW390.46 g/mol
LogP4.86
Rot. Bonds5

About (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one

(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one (PubChem CID 93290605) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
PubChem CID93290605
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1Cc1ccccc1F
InChIInChI=1S/C24H23FN2O2/c1-18-24(28)27(16-15-26(18)17-19-7-5-6-10-23(19)25)20-11-13-22(14-12-20)29-21-8-3-2-4-9-21/h2-14,18H,15-17H2,1H3/t18-/m0/s1
InChIKeyNVTPZHYGWZDTGY-SFHVURJKSA-N
XLogP4.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
The IUPAC name of (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one (CID 93290605) is (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
The canonical SMILES for (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one is C[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1Cc1ccccc1F.
What is the InChIKey of (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
The InChIKey is NVTPZHYGWZDTGY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-18-24(28)27(16-15-26(18)17-19-7-5-6-10-23(19)25)20-11-13-22(14-12-20)29-21-8-3-2-4-9-21/h2-14,18H,15-17H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one has a molecular weight of 390.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one is sourced from PubChem (CID 93290605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).