2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide

C12H19F3N2O2 — CID 82812058

IUPAC2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H19F3N2O2/c1-7-9(4-5-19-7)11(18)17-8-2-3-10(16-6-8)12(13,14)15/h7-10,16H,2-6H2,1H3,(H,17,18)
InChIKeyJDPDSRCKTAYZBP-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide

2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide (PubChem CID 82812058) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
PubChem CID82812058
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H19F3N2O2/c1-7-9(4-5-19-7)11(18)17-8-2-3-10(16-6-8)12(13,14)15/h7-10,16H,2-6H2,1H3,(H,17,18)
InChIKeyJDPDSRCKTAYZBP-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide (CID 82812058) is 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide is CC1OCCC1C(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
The InChIKey is JDPDSRCKTAYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-7-9(4-5-19-7)11(18)17-8-2-3-10(16-6-8)12(13,14)15/h7-10,16H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide?
2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 82812058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).