8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H28FN3O2 — CID 10251624

IUPAC8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1CCc1ccccc1
InChIInChI=1S/C25H28FN3O2/c26-21-6-7-23-22(16-21)20(17-27-23)9-12-28-14-10-25(11-15-28)18-29(24(30)31-25)13-8-19-4-2-1-3-5-19/h1-7,16-17,27H,8-15,18H2
InChIKeyNSNSOTACVUPVPI-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.38
Rot. Bonds6

About 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10251624) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10251624
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1CCc1ccccc1
InChIInChI=1S/C25H28FN3O2/c26-21-6-7-23-22(16-21)20(17-27-23)9-12-28-14-10-25(11-15-28)18-29(24(30)31-25)13-8-19-4-2-1-3-5-19/h1-7,16-17,27H,8-15,18H2
InChIKeyNSNSOTACVUPVPI-UHFFFAOYSA-N
XLogP4.38
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10251624) is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1CCc1ccccc1.
What is the InChIKey of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NSNSOTACVUPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-21-6-7-23-22(16-21)20(17-27-23)9-12-28-14-10-25(11-15-28)18-29(24(30)31-25)13-8-19-4-2-1-3-5-19/h1-7,16-17,27H,8-15,18H2.
What are the key properties of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 421.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10251624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).