1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one

C19H20F2N2O — CID 24716309

IUPAC1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccc(F)cc3)C(C)C2=O)cc1F
InChIInChI=1S/C19H20F2N2O/c1-13-3-8-17(11-18(13)21)23-10-9-22(14(2)19(23)24)12-15-4-6-16(20)7-5-15/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyBAYCEKYWHFRFKN-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.51
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one

1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 24716309) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID24716309
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccc(F)cc3)C(C)C2=O)cc1F
InChIInChI=1S/C19H20F2N2O/c1-13-3-8-17(11-18(13)21)23-10-9-22(14(2)19(23)24)12-15-4-6-16(20)7-5-15/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyBAYCEKYWHFRFKN-UHFFFAOYSA-N
XLogP3.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93319688
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
(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
ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24715814
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
methyl 4-[[(2S)-4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 93322458
methyl 4-[[(2R)-4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 93322457
methyl 4-[[4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 42682810
1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716560

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one (CID 24716309) is 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is Cc1ccc(N2CCN(Cc3ccc(F)cc3)C(C)C2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is BAYCEKYWHFRFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-13-3-8-17(11-18(13)21)23-10-9-22(14(2)19(23)24)12-15-4-6-16(20)7-5-15/h3-8,11,14H,9-10,12H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one?
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 330.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 24716309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).