3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide

C12H21F3N2O2 — CID 82810860

IUPAC3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
SMILESCCCOCCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O2/c1-2-6-19-7-5-11(18)17-9-3-4-10(16-8-9)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyNGRVYPUZSXKJOY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.60
Rot. Bonds6

About 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide

3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide (PubChem CID 82810860) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
PubChem CID82810860
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
SMILESCCCOCCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O2/c1-2-6-19-7-5-11(18)17-9-3-4-10(16-8-9)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyNGRVYPUZSXKJOY-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide (CID 82810860) is 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide is CCCOCCC(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
The InChIKey is NGRVYPUZSXKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-6-19-7-5-11(18)17-9-3-4-10(16-8-9)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide?
3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 82810860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).