3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide

C12H21F3N2O2 — CID 103019706

IUPAC3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
SMILESCOC(C)(C)CC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,19-3)6-10(18)17-8-4-5-9(16-7-8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyVGBBPSQPGZPBCG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.60
Rot. Bonds4

About 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide

3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide (PubChem CID 103019706) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
PubChem CID103019706
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
SMILESCOC(C)(C)CC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,19-3)6-10(18)17-8-4-5-9(16-7-8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyVGBBPSQPGZPBCG-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide (CID 103019706) is 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide is COC(C)(C)CC(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
The InChIKey is VGBBPSQPGZPBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,19-3)6-10(18)17-8-4-5-9(16-7-8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide?
3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 103019706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).