2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one

C18H25FN2O2 — CID 72857873

IUPAC2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(CCOc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C18H25FN2O2/c1-2-21-14-18(13-17(21)22)7-9-20(10-8-18)11-12-23-16-5-3-15(19)4-6-16/h3-6H,2,7-14H2,1H3
InChIKeyADHFNVUHESTRDS-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.54
Rot. Bonds5

About 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72857873) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72857873
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(CCOc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C18H25FN2O2/c1-2-21-14-18(13-17(21)22)7-9-20(10-8-18)11-12-23-16-5-3-15(19)4-6-16/h3-6H,2,7-14H2,1H3
InChIKeyADHFNVUHESTRDS-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72857873) is 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(CCOc3ccc(F)cc3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ADHFNVUHESTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-21-14-18(13-17(21)22)7-9-20(10-8-18)11-12-23-16-5-3-15(19)4-6-16/h3-6H,2,7-14H2,1H3.
What are the key properties of 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 320.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[2-(4-fluorophenoxy)ethyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72857873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).