8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H28FN3O3 — CID 10048714

IUPAC8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1
InChIInChI=1S/C25H28FN3O3/c1-31-21-5-2-18(3-6-21)16-29-17-25(32-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-4-20(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3
InChIKeyYRNRPVJNCDCCPQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.35
Rot. Bonds6

About 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10048714) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10048714
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1
InChIInChI=1S/C25H28FN3O3/c1-31-21-5-2-18(3-6-21)16-29-17-25(32-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-4-20(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3
InChIKeyYRNRPVJNCDCCPQ-UHFFFAOYSA-N
XLogP4.35
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10048714) is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1.
What is the InChIKey of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YRNRPVJNCDCCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-31-21-5-2-18(3-6-21)16-29-17-25(32-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-4-20(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3.
What are the key properties of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 437.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10048714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).