5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

C18H21F3N4O — CID 138382338

IUPAC5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1nc(C(F)(F)F)ncc1CN1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C18H21F3N4O/c1-12-15(10-23-17(24-12)18(19,20)21)11-25-6-4-13(5-7-25)8-14-2-3-16(26)22-9-14/h2-3,9-10,13H,4-8,11H2,1H3,(H,22,26)
InChIKeyLCNQPUDNABBOPE-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.95
Rot. Bonds4

About 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 138382338) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID138382338
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1nc(C(F)(F)F)ncc1CN1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C18H21F3N4O/c1-12-15(10-23-17(24-12)18(19,20)21)11-25-6-4-13(5-7-25)8-14-2-3-16(26)22-9-14/h2-3,9-10,13H,4-8,11H2,1H3,(H,22,26)
InChIKeyLCNQPUDNABBOPE-UHFFFAOYSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 138382338) is 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is Cc1nc(C(F)(F)F)ncc1CN1CCC(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is LCNQPUDNABBOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-12-15(10-23-17(24-12)18(19,20)21)11-25-6-4-13(5-7-25)8-14-2-3-16(26)22-9-14/h2-3,9-10,13H,4-8,11H2,1H3,(H,22,26).
What are the key properties of 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 366.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138382338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).