1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one

C19H23F3N4O3S — CID 133424037

IUPAC1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1=O
InChIInChI=1S/C19H23F3N4O3S/c1-14(2)13-25-7-6-23-17(18(25)27)24-8-10-26(11-9-24)30(28,29)16-5-3-4-15(12-16)19(20,21)22/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyWBGRKMUGDUCYMP-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.43
Rot. Bonds5

About 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one

1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one (PubChem CID 133424037) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one
PubChem CID133424037
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC Name1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1=O
InChIInChI=1S/C19H23F3N4O3S/c1-14(2)13-25-7-6-23-17(18(25)27)24-8-10-26(11-9-24)30(28,29)16-5-3-4-15(12-16)19(20,21)22/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyWBGRKMUGDUCYMP-UHFFFAOYSA-N
XLogP2.43
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-cyclohexyl-N-[C-ethynyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-2-[2-oxo-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 145480421
1-(Cyclopropylmethyl)-4-oxo-3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 169094565
(2-Propan-2-ylimino-1-pyridinyl)-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 16609664
3-[4-[3-(Trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 16614742
N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 24389659
1-(4-Methylpiperidin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 27183421
7-Methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43056902
9-Methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45841707
1-Ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]piperazine-2,3-dione
CID 46458309
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 52891481
N,N-bis(2-cyanoethyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 55437096
N-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 60396668

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one (CID 133424037) is 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one is CC(C)Cn1ccnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one?
The InChIKey is WBGRKMUGDUCYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-14(2)13-25-7-6-23-17(18(25)27)24-8-10-26(11-9-24)30(28,29)16-5-3-4-15(12-16)19(20,21)22/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one?
1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one has a molecular weight of 444.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazin-2-one is sourced from PubChem (CID 133424037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).