N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide

C11H19F3N2O2 — CID 112737938

IUPACN-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)C(C)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-3-15-9(17)8(2)16-6-4-10(18,5-7-16)11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17)
InChIKeyWVOYBLONWOLRSB-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds3

About N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide

N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 112737938) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID112737938
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)C(C)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-3-15-9(17)8(2)16-6-4-10(18,5-7-16)11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17)
InChIKeyWVOYBLONWOLRSB-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide (CID 112737938) is N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide is CCNC(=O)C(C)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is WVOYBLONWOLRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-15-9(17)8(2)16-6-4-10(18,5-7-16)11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 268.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 112737938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).