(3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one

C19H19ClF2N2O — CID 93321229

IUPAC(3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCc1cc(Cl)ccc1N1CCN(Cc2ccc(F)cc2F)[C@@H](C)C1=O
InChIInChI=1S/C19H19ClF2N2O/c1-12-9-15(20)4-6-18(12)24-8-7-23(13(2)19(24)25)11-14-3-5-16(21)10-17(14)22/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyVWUAGFUFLKTZCG-ZDUSSCGKSA-N
MW364.82 g/mol
LogP4.16
Rot. Bonds3

About (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one

(3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 93321229) has the molecular formula C19H19ClF2N2O and a molecular weight of 364.82 g/mol. Its IUPAC name is (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID93321229
Molecular FormulaC19H19ClF2N2O
Molecular Weight364.82 g/mol
Exact Mass364.12
IUPAC Name(3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCc1cc(Cl)ccc1N1CCN(Cc2ccc(F)cc2F)[C@@H](C)C1=O
InChIInChI=1S/C19H19ClF2N2O/c1-12-9-15(20)4-6-18(12)24-8-7-23(13(2)19(24)25)11-14-3-5-16(21)10-17(14)22/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m0/s1
InChIKeyVWUAGFUFLKTZCG-ZDUSSCGKSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one with MolForge

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Related Compounds

1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035896
(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93319688
1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035875
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
(3R)-4-benzyl-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93321458
(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93290632
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321370
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716098
1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716560
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one (CID 93321229) is (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one is Cc1cc(Cl)ccc1N1CCN(Cc2ccc(F)cc2F)[C@@H](C)C1=O.
What is the InChIKey of (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is VWUAGFUFLKTZCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClF2N2O/c1-12-9-15(20)4-6-18(12)24-8-7-23(13(2)19(24)25)11-14-3-5-16(21)10-17(14)22/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one?
(3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 364.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 93321229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).