N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H23F3N2O3 — CID 111112800

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCN(CC(O)CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-10-2-4-18(5-3-10)7-11(19)6-17-12(20)8-21-9-13(14,15)16/h10-11,19H,2-9H2,1H3,(H,17,20)
InChIKeyDGBNDSRYLOYKKQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.77
Rot. Bonds7

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 111112800) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID111112800
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCN(CC(O)CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-10-2-4-18(5-3-10)7-11(19)6-17-12(20)8-21-9-13(14,15)16/h10-11,19H,2-9H2,1H3,(H,17,20)
InChIKeyDGBNDSRYLOYKKQ-UHFFFAOYSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 111112800) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC1CCN(CC(O)CNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DGBNDSRYLOYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-10-2-4-18(5-3-10)7-11(19)6-17-12(20)8-21-9-13(14,15)16/h10-11,19H,2-9H2,1H3,(H,17,20).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 312.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 111112800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).