N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide

C17H25FN2O2 — CID 110898357

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCC(O)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-3-20(13(2)14-4-6-15(18)7-5-14)17(22)12-19-10-8-16(21)9-11-19/h4-7,13,16,21H,3,8-12H2,1-2H3
InChIKeyKGNAMYVJFLCNJA-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 110898357) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID110898357
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCC(O)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-3-20(13(2)14-4-6-15(18)7-5-14)17(22)12-19-10-8-16(21)9-11-19/h4-7,13,16,21H,3,8-12H2,1-2H3
InChIKeyKGNAMYVJFLCNJA-UHFFFAOYSA-N
XLogP2.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide (CID 110898357) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide is CCN(C(=O)CN1CCC(O)CC1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is KGNAMYVJFLCNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-3-20(13(2)14-4-6-15(18)7-5-14)17(22)12-19-10-8-16(21)9-11-19/h4-7,13,16,21H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 110898357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).