4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

C19H18F4N2O — CID 46035767

IUPAC4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H18F4N2O/c1-13-18(26)25(17-4-2-3-15(11-17)19(21,22)23)10-9-24(13)12-14-5-7-16(20)8-6-14/h2-8,11,13H,9-10,12H2,1H3
InChIKeyBXMKOXRYSOHSGP-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.08
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (PubChem CID 46035767) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
PubChem CID46035767
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H18F4N2O/c1-13-18(26)25(17-4-2-3-15(11-17)19(21,22)23)10-9-24(13)12-14-5-7-16(20)8-6-14/h2-8,11,13H,9-10,12H2,1H3
InChIKeyBXMKOXRYSOHSGP-UHFFFAOYSA-N
XLogP4.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
1-(2-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716560
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
(3R)-4-benzyl-1-(4-tert-butylphenyl)-3-methylpiperazin-2-one
CID 93321080
4-benzyl-1-(2,4-difluorophenyl)-3-methylpiperazin-2-one
CID 24716306
(3R)-1-(3-bromophenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321240
(3R)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93321035
(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
CID 93114266
4-[(2,6-difluorophenyl)methyl]-1-(3-ethoxyphenyl)-3-methylpiperazin-2-one
CID 46035835

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (CID 46035767) is 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is CC1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The InChIKey is BXMKOXRYSOHSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c1-13-18(26)25(17-4-2-3-15(11-17)19(21,22)23)10-9-24(13)12-14-5-7-16(20)8-6-14/h2-8,11,13H,9-10,12H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one has a molecular weight of 366.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 46035767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).