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

C20H23FN2O — CID 46035875

IUPAC1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccccc3F)C(C)C2=O)c(C)c1
InChIInChI=1S/C20H23FN2O/c1-14-8-9-19(15(2)12-14)23-11-10-22(16(3)20(23)24)13-17-6-4-5-7-18(17)21/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyBURKSEFVOMIRAP-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.68
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 46035875) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID46035875
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccccc3F)C(C)C2=O)c(C)c1
InChIInChI=1S/C20H23FN2O/c1-14-8-9-19(15(2)12-14)23-11-10-22(16(3)20(23)24)13-17-6-4-5-7-18(17)21/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyBURKSEFVOMIRAP-UHFFFAOYSA-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

(3R)-1-(2-ethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93290632
(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321370
(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-(4-tert-butylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035826
(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290605
(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 93322662
6-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methyl]-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 73436566
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one
CID 42847308
(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93319688
(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93321035

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one (CID 46035875) is 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one is Cc1ccc(N2CCN(Cc3ccccc3F)C(C)C2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is BURKSEFVOMIRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14-8-9-19(15(2)12-14)23-11-10-22(16(3)20(23)24)13-17-6-4-5-7-18(17)21/h4-9,12,16H,10-11,13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one?
1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-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 1-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 46035875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).