cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

C19H26FNO2 — CID 53038000

IUPACcyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FNO2/c20-17-6-3-7-18(14-17)23-13-10-15-8-11-21(12-9-15)19(22)16-4-1-2-5-16/h3,6-7,14-16H,1-2,4-5,8-13H2
InChIKeyIWRNFHRADBTCTM-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.02
Rot. Bonds5

About cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 53038000) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID53038000
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Namecyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FNO2/c20-17-6-3-7-18(14-17)23-13-10-15-8-11-21(12-9-15)19(22)16-4-1-2-5-16/h3,6-7,14-16H,1-2,4-5,8-13H2
InChIKeyIWRNFHRADBTCTM-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 53038000) is cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is IWRNFHRADBTCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c20-17-6-3-7-18(14-17)23-13-10-15-8-11-21(12-9-15)19(22)16-4-1-2-5-16/h3,6-7,14-16H,1-2,4-5,8-13H2.
What are the key properties of cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone has a molecular weight of 319.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53038000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).