(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one

C24H22F2N2O — CID 93322523

IUPAC(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1Cc1c(F)cccc1F
InChIInChI=1S/C24H22F2N2O/c1-17-24(29)28(15-14-27(17)16-20-21(25)11-7-12-22(20)26)23-13-6-5-10-19(23)18-8-3-2-4-9-18/h2-13,17H,14-16H2,1H3/t17-/m1/s1
InChIKeyZWCDWVMGWWUGOE-QGZVFWFLSA-N
MW392.45 g/mol
LogP4.87
Rot. Bonds4

About (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one

(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 93322523) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one
PubChem CID93322523
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1Cc1c(F)cccc1F
InChIInChI=1S/C24H22F2N2O/c1-17-24(29)28(15-14-27(17)16-20-21(25)11-7-12-22(20)26)23-13-6-5-10-19(23)18-8-3-2-4-9-18/h2-13,17H,14-16H2,1H3/t17-/m1/s1
InChIKeyZWCDWVMGWWUGOE-QGZVFWFLSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one (CID 93322523) is (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one is C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1Cc1c(F)cccc1F.
What is the InChIKey of (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is ZWCDWVMGWWUGOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22F2N2O/c1-17-24(29)28(15-14-27(17)16-20-21(25)11-7-12-22(20)26)23-13-6-5-10-19(23)18-8-3-2-4-9-18/h2-13,17H,14-16H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 392.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 93322523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).