8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H27N3O3 — CID 70760228

IUPAC8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)OC1=O
InChIInChI=1S/C21H27N3O3/c1-15(2)7-10-24-14-21(27-20(24)26)8-11-23(12-9-21)19(25)18-13-16-5-3-4-6-17(16)22-18/h3-6,13,15,22H,7-12,14H2,1-2H3
InChIKeyWWASALLEGJHFJE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.64
Rot. Bonds4

About 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70760228) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70760228
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)OC1=O
InChIInChI=1S/C21H27N3O3/c1-15(2)7-10-24-14-21(27-20(24)26)8-11-23(12-9-21)19(25)18-13-16-5-3-4-6-17(16)22-18/h3-6,13,15,22H,7-12,14H2,1-2H3
InChIKeyWWASALLEGJHFJE-UHFFFAOYSA-N
XLogP3.64
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70714965
8-(2,3-difluoro-4-methylbenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776815
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
3-(3-methylbutyl)-8-[2-(3-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718372
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
4-[[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]benzoic acid
CID 70776773

Frequently Asked Questions

What is the IUPAC name of 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70760228) is 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)CCN1CC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)OC1=O.
What is the InChIKey of 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WWASALLEGJHFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)7-10-24-14-21(27-20(24)26)8-11-23(12-9-21)19(25)18-13-16-5-3-4-6-17(16)22-18/h3-6,13,15,22H,7-12,14H2,1-2H3.
What are the key properties of 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70760228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).