(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one

C20H23FN2O — CID 93321035

IUPAC(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(c3ccc(C)c(F)c3)C(=O)[C@H]2C)c1
InChIInChI=1S/C20H23FN2O/c1-14-5-4-6-17(11-14)13-22-9-10-23(20(24)16(22)3)18-8-7-15(2)19(21)12-18/h4-8,11-12,16H,9-10,13H2,1-3H3/t16-/m1/s1
InChIKeyFWBKRDBGOULPEH-MRXNPFEDSA-N
MW326.42 g/mol
LogP3.68
Rot. Bonds3

About (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one

(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one (PubChem CID 93321035) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
PubChem CID93321035
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(c3ccc(C)c(F)c3)C(=O)[C@H]2C)c1
InChIInChI=1S/C20H23FN2O/c1-14-5-4-6-17(11-14)13-22-9-10-23(20(24)16(22)3)18-8-7-15(2)19(21)12-18/h4-8,11-12,16H,9-10,13H2,1-3H3/t16-/m1/s1
InChIKeyFWBKRDBGOULPEH-MRXNPFEDSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93322462
(3S)-1-(3-chloro-4-methylphenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321550
ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24715814
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24715820
(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93319688
(3S)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93290787
(3S)-1-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321187
(3R)-1-(3-bromophenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321240
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one (CID 93321035) is (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one is Cc1cccc(CN2CCN(c3ccc(C)c(F)c3)C(=O)[C@H]2C)c1.
What is the InChIKey of (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is FWBKRDBGOULPEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14-5-4-6-17(11-14)13-22-9-10-23(20(24)16(22)3)18-8-7-15(2)19(21)12-18/h4-8,11-12,16H,9-10,13H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one?
(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 326.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 93321035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).