8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H20N2O2 — CID 3344

💊View drug profile → fenspiride
IUPAC8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKeyFVNFBBAOMBJTST-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.80
Rot. Bonds3

About 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3344) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3344
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKeyFVNFBBAOMBJTST-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3344) is 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CCc3ccccc3)CC2)O1.
What is the InChIKey of 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FVNFBBAOMBJTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18).
What are the key properties of 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).