3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide

C13H23F3N2O2 — CID 103019511

IUPAC3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(C)(C)CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O2/c1-12(2,20-3)8-11(19)18(9-13(14,15)16)10-4-6-17-7-5-10/h10,17H,4-9H2,1-3H3
InChIKeyQNBNESAAVJKNCO-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.94
Rot. Bonds5

About 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide

3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103019511) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103019511
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(C)(C)CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O2/c1-12(2,20-3)8-11(19)18(9-13(14,15)16)10-4-6-17-7-5-10/h10,17H,4-9H2,1-3H3
InChIKeyQNBNESAAVJKNCO-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 103019511) is 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide is COC(C)(C)CC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is QNBNESAAVJKNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-12(2,20-3)8-11(19)18(9-13(14,15)16)10-4-6-17-7-5-10/h10,17H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 296.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103019511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).