3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C19H20F3N3O2 — CID 3811927

IUPAC3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1
InChIInChI=1S/C19H20F3N3O2/c1-23-9-11-24(12-10-23)17(26)16-3-2-8-25(18(16)27)13-14-4-6-15(7-5-14)19(20,21)22/h2-8H,9-13H2,1H3
InChIKeyCPMCAOFCSSJQLV-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.30
Rot. Bonds3

About 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one

3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 3811927) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID3811927
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1
InChIInChI=1S/C19H20F3N3O2/c1-23-9-11-24(12-10-23)17(26)16-3-2-8-25(18(16)27)13-14-4-6-15(7-5-14)19(20,21)22/h2-8H,9-13H2,1H3
InChIKeyCPMCAOFCSSJQLV-UHFFFAOYSA-N
XLogP2.30
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 3811927) is 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is CN1CCN(C(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is CPMCAOFCSSJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-23-9-11-24(12-10-23)17(26)16-3-2-8-25(18(16)27)13-14-4-6-15(7-5-14)19(20,21)22/h2-8H,9-13H2,1H3.
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 379.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 3811927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).