6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one

C19H25F3N4O2 — CID 126941842

IUPAC6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1C(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)11-25-8-5-16(18(25)28)24-6-3-13(4-7-24)10-26-12-23-15(9-17(26)27)14-1-2-14/h9,12-14,16H,1-8,10-11H2
InChIKeyZERGPRUJQNKLFZ-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.00
Rot. Bonds5

About 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941842) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941842
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1C(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)11-25-8-5-16(18(25)28)24-6-3-13(4-7-24)10-26-12-23-15(9-17(26)27)14-1-2-14/h9,12-14,16H,1-8,10-11H2
InChIKeyZERGPRUJQNKLFZ-UHFFFAOYSA-N
XLogP2.00
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941842) is 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1C(N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)CCN1CC(F)(F)F.
What is the InChIKey of 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ZERGPRUJQNKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c20-19(21,22)11-25-8-5-16(18(25)28)24-6-3-13(4-7-24)10-26-12-23-15(9-17(26)27)14-1-2-14/h9,12-14,16H,1-8,10-11H2.
What are the key properties of 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 398.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).