6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one

C17H20F3NO4 — CID 170510104

IUPAC6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C17H20F3NO4/c1-10-9-13(11-3-2-4-11)24-16(23)14(10)15(22)21-7-5-12(6-8-21)25-17(18,19)20/h9,11-12H,2-8H2,1H3
InChIKeyJBRBASMOCZZLEL-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.36
Rot. Bonds3

About 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one

6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one (PubChem CID 170510104) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one
PubChem CID170510104
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C17H20F3NO4/c1-10-9-13(11-3-2-4-11)24-16(23)14(10)15(22)21-7-5-12(6-8-21)25-17(18,19)20/h9,11-12H,2-8H2,1H3
InChIKeyJBRBASMOCZZLEL-UHFFFAOYSA-N
XLogP3.36
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one (CID 170510104) is 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one?
The InChIKey is JBRBASMOCZZLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-10-9-13(11-3-2-4-11)24-16(23)14(10)15(22)21-7-5-12(6-8-21)25-17(18,19)20/h9,11-12H,2-8H2,1H3.
What are the key properties of 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one?
6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one has a molecular weight of 359.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 170510104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).