N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide

C20H24FN3O2 — CID 16674320

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c21-17-6-4-16(5-7-17)8-12-23-19(25)15-24-13-9-20(26,10-14-24)18-3-1-2-11-22-18/h1-7,11,26H,8-10,12-15H2,(H,23,25)
InChIKeyPBDVWFQCOSJSFH-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide (PubChem CID 16674320) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
PubChem CID16674320
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c21-17-6-4-16(5-7-17)8-12-23-19(25)15-24-13-9-20(26,10-14-24)18-3-1-2-11-22-18/h1-7,11,26H,8-10,12-15H2,(H,23,25)
InChIKeyPBDVWFQCOSJSFH-UHFFFAOYSA-N
XLogP1.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide (CID 16674320) is N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide is O=C(CN1CCC(O)(c2ccccn2)CC1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is PBDVWFQCOSJSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-6-4-16(5-7-17)8-12-23-19(25)15-24-13-9-20(26,10-14-24)18-3-1-2-11-22-18/h1-7,11,26H,8-10,12-15H2,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 16674320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).