N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H23F3N2O2 — CID 86853136

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCN(C(C)CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-10-3-5-18(6-4-10)11(2)7-17-12(19)8-20-9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeySOMKVWNNTVTVKV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86853136) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86853136
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCN(C(C)CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-10-3-5-18(6-4-10)11(2)7-17-12(19)8-20-9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeySOMKVWNNTVTVKV-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 86853136) is N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC1CCN(C(C)CNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SOMKVWNNTVTVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10-3-5-18(6-4-10)11(2)7-17-12(19)8-20-9-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86853136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).