3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one

C24H25F3N4O — CID 129140742

IUPAC3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESCc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H25F3N4O/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)24(25,26)27)29-22(23(32)30(21)2)31-13-11-19(28)12-14-31/h3-10,19H,11-14,28H2,1-2H3
InChIKeyWYUWYRDHMHBDIJ-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.37
Rot. Bonds3

About 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one

3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one (PubChem CID 129140742) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
PubChem CID129140742
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESCc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C24H25F3N4O/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)24(25,26)27)29-22(23(32)30(21)2)31-13-11-19(28)12-14-31/h3-10,19H,11-14,28H2,1-2H3
InChIKeyWYUWYRDHMHBDIJ-UHFFFAOYSA-N
XLogP4.37
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one (CID 129140742) is 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one is Cc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)nc(N3CCC(N)CC3)c(=O)n2C)cc1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
The InChIKey is WYUWYRDHMHBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-15-3-5-17(6-4-15)21-20(16-7-9-18(10-8-16)24(25,26)27)29-22(23(32)30(21)2)31-13-11-19(28)12-14-31/h3-10,19H,11-14,28H2,1-2H3.
What are the key properties of 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one?
3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one has a molecular weight of 442.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-1-methyl-6-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-one is sourced from PubChem (CID 129140742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).