methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate

C19H26FNO3 — CID 45241022

IUPACmethyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H26FNO3/c1-24-19(23)9-3-8-18(22)21-12-4-6-16(14-21)11-10-15-5-2-7-17(20)13-15/h2,5,7,13,16H,3-4,6,8-12,14H2,1H3
InChIKeyGHCDOQWVFXDBRM-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.34
Rot. Bonds7

About methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate

methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate (PubChem CID 45241022) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate
PubChem CID45241022
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Namemethyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H26FNO3/c1-24-19(23)9-3-8-18(22)21-12-4-6-16(14-21)11-10-15-5-2-7-17(20)13-15/h2,5,7,13,16H,3-4,6,8-12,14H2,1H3
InChIKeyGHCDOQWVFXDBRM-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate (CID 45241022) is methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CCCC(CCc2cccc(F)c2)C1.
What is the InChIKey of methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate?
The InChIKey is GHCDOQWVFXDBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-24-19(23)9-3-8-18(22)21-12-4-6-16(14-21)11-10-15-5-2-7-17(20)13-15/h2,5,7,13,16H,3-4,6,8-12,14H2,1H3.
What are the key properties of methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate?
methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate has a molecular weight of 335.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 45241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).