4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one

C18H24F3NO3 — CID 170503760

IUPAC4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c(=O)o1
InChIInChI=1S/C18H24F3NO3/c1-4-5-11(2)14-10-12(3)15(17(24)25-14)16(23)22-8-6-13(7-9-22)18(19,20)21/h10-11,13H,4-9H2,1-3H3
InChIKeyDITPACQLTHLSLT-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.27
Rot. Bonds4

About 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one

4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one (PubChem CID 170503760) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one
PubChem CID170503760
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c(=O)o1
InChIInChI=1S/C18H24F3NO3/c1-4-5-11(2)14-10-12(3)15(17(24)25-14)16(23)22-8-6-13(7-9-22)18(19,20)21/h10-11,13H,4-9H2,1-3H3
InChIKeyDITPACQLTHLSLT-UHFFFAOYSA-N
XLogP4.27
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one (CID 170503760) is 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one is CCCC(C)c1cc(C)c(C(=O)N2CCC(C(F)(F)F)CC2)c(=O)o1.
What is the InChIKey of 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
The InChIKey is DITPACQLTHLSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3/c1-4-5-11(2)14-10-12(3)15(17(24)25-14)16(23)22-8-6-13(7-9-22)18(19,20)21/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one has a molecular weight of 359.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pentan-2-yl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 170503760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).