8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H25FN2O2 — CID 3077260

IUPAC8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)C)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C19H25FN2O2/c1-14(2)22-15(3)19(24-18(22)23)9-12-21(13-10-19)11-8-16-4-6-17(20)7-5-16/h4-7,14H,3,8-13H2,1-2H3
InChIKeyVUXPHDLYHYMKJL-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.58
Rot. Bonds4

About 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077260) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077260
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)C)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C19H25FN2O2/c1-14(2)22-15(3)19(24-18(22)23)9-12-21(13-10-19)11-8-16-4-6-17(20)7-5-16/h4-7,14H,3,8-13H2,1-2H3
InChIKeyVUXPHDLYHYMKJL-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077260) is 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C(C)C)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2.
What is the InChIKey of 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VUXPHDLYHYMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14(2)22-15(3)19(24-18(22)23)9-12-21(13-10-19)11-8-16-4-6-17(20)7-5-16/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 332.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).