3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C23H26ClN3O2 — CID 70571924

IUPAC3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1OC2(CCNCC2)CN1CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2.ClH/c27-22-26(16-23(28-22)10-12-24-13-11-23)15-20(17-6-2-1-3-7-17)19-14-25-21-9-5-4-8-18(19)21;/h1-9,14,20,24-25H,10-13,15-16H2;1H
InChIKeyMCZUDFUYUJYGML-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.30
Rot. Bonds4

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

3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 70571924) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID70571924
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1OC2(CCNCC2)CN1CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2.ClH/c27-22-26(16-23(28-22)10-12-24-13-11-23)15-20(17-6-2-1-3-7-17)19-14-25-21-9-5-4-8-18(19)21;/h1-9,14,20,24-25H,10-13,15-16H2;1H
InChIKeyMCZUDFUYUJYGML-UHFFFAOYSA-N
XLogP4.30
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride with MolForge

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Related Compounds

1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
CID 13202935
4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 70574063
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617194
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
3-(2-nitro-1-phenylethyl)-1H-indole
CID 2740778
3-(1H-indol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one
CID 71696404
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 70571924) is 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is Cl.O=C1OC2(CCNCC2)CN1CC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is MCZUDFUYUJYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.ClH/c27-22-26(16-23(28-22)10-12-24-13-11-23)15-20(17-6-2-1-3-7-17)19-14-25-21-9-5-4-8-18(19)21;/h1-9,14,20,24-25H,10-13,15-16H2;1H.
What are the key properties of 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 70571924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).