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

C20H22F2N2O — CID 93319688

IUPAC(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2=O)cc1C
InChIInChI=1S/C20H22F2N2O/c1-13-4-7-18(10-14(13)2)24-9-8-23(15(3)20(24)25)12-16-5-6-17(21)11-19(16)22/h4-7,10-11,15H,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyYXNFQWYJYMFGJY-HNNXBMFYSA-N
MW344.41 g/mol
LogP3.82
Rot. Bonds3

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

(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one (PubChem CID 93319688) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
PubChem CID93319688
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2=O)cc1C
InChIInChI=1S/C20H22F2N2O/c1-13-4-7-18(10-14(13)2)24-9-8-23(15(3)20(24)25)12-16-5-6-17(21)11-19(16)22/h4-7,10-11,15H,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyYXNFQWYJYMFGJY-HNNXBMFYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321229
1-(4-chloro-2-methylphenyl)-4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035896
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
(3S)-1-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321187
(3S)-1-(3-chloro-4-methylphenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321550
(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93321035
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93319686
(3R)-1-(3,4-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292457
1-(4-tert-butylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035826
(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321351
(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290605

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one (CID 93319688) is (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one is Cc1ccc(N2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2=O)cc1C.
What is the InChIKey of (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is YXNFQWYJYMFGJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-13-4-7-18(10-14(13)2)24-9-8-23(15(3)20(24)25)12-16-5-6-17(21)11-19(16)22/h4-7,10-11,15H,8-9,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one?
(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 344.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93319688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).