3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one

C15H16F3N5O — CID 169205086

IUPAC3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one
SMILESCN1CCC(c2nccn(-c3ncc(C(F)(F)F)cn3)c2=O)CC1
InChIInChI=1S/C15H16F3N5O/c1-22-5-2-10(3-6-22)12-13(24)23(7-4-19-12)14-20-8-11(9-21-14)15(16,17)18/h4,7-10H,2-3,5-6H2,1H3
InChIKeyRXPONEZEGCCVCS-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.85
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one

3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one (PubChem CID 169205086) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one
PubChem CID169205086
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one
SMILESCN1CCC(c2nccn(-c3ncc(C(F)(F)F)cn3)c2=O)CC1
InChIInChI=1S/C15H16F3N5O/c1-22-5-2-10(3-6-22)12-13(24)23(7-4-19-12)14-20-8-11(9-21-14)15(16,17)18/h4,7-10H,2-3,5-6H2,1H3
InChIKeyRXPONEZEGCCVCS-UHFFFAOYSA-N
XLogP1.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one (CID 169205086) is 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one is CN1CCC(c2nccn(-c3ncc(C(F)(F)F)cn3)c2=O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one?
The InChIKey is RXPONEZEGCCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-22-5-2-10(3-6-22)12-13(24)23(7-4-19-12)14-20-8-11(9-21-14)15(16,17)18/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one?
3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one has a molecular weight of 339.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazin-2-one is sourced from PubChem (CID 169205086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).