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

C28H28FN3O2 — CID 10344101

IUPAC8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C28H28FN3O2/c29-24-7-8-26-25(16-24)23(17-30-26)9-12-31-13-10-28(11-14-31)19-32(27(33)34-28)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-8,15-17,30H,9-14,18-19H2
InChIKeyFDTLBJGKWZTQIB-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.49
Rot. Bonds5

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

8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10344101) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10344101
Molecular FormulaC28H28FN3O2
Molecular Weight457.55 g/mol
Exact Mass457.22
IUPAC Name8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C28H28FN3O2/c29-24-7-8-26-25(16-24)23(17-30-26)9-12-31-13-10-28(11-14-31)19-32(27(33)34-28)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-8,15-17,30H,9-14,18-19H2
InChIKeyFDTLBJGKWZTQIB-UHFFFAOYSA-N
XLogP5.49
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.49
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-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10344101) is 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-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-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc2ccccc2c1.
What is the InChIKey of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FDTLBJGKWZTQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c29-24-7-8-26-25(16-24)23(17-30-26)9-12-31-13-10-28(11-14-31)19-32(27(33)34-28)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-8,15-17,30H,9-14,18-19H2.
What are the key properties of 8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 457.55 g/mol, XLogP of 5.49, 5 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-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10344101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).