1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone

C22H31N3O2 — CID 56895188

IUPAC1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOCCN1CCCC2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1
InChIInChI=1S/C22H31N3O2/c1-23-15-18(19-6-3-4-7-20(19)23)14-21(26)25-11-9-22(17-25)8-5-10-24(16-22)12-13-27-2/h3-4,6-7,15H,5,8-14,16-17H2,1-2H3
InChIKeyOEHXFZIQSRJQNC-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.68
Rot. Bonds5

About 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone

1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 56895188) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID56895188
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOCCN1CCCC2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1
InChIInChI=1S/C22H31N3O2/c1-23-15-18(19-6-3-4-7-20(19)23)14-21(26)25-11-9-22(17-25)8-5-10-24(16-22)12-13-27-2/h3-4,6-7,15H,5,8-14,16-17H2,1-2H3
InChIKeyOEHXFZIQSRJQNC-UHFFFAOYSA-N
XLogP2.68
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone with MolForge

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Related Compounds

isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 56892672
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42291921
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
1-[5-[(4-methoxyphenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]-2-(1-methylindol-3-yl)ethanone
CID 110068968
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784688
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131662022
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
formic acid;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784687
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone (CID 56895188) is 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone is COCCN1CCCC2(CCN(C(=O)Cc3cn(C)c4ccccc34)C2)C1.
What is the InChIKey of 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is OEHXFZIQSRJQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-23-15-18(19-6-3-4-7-20(19)23)14-21(26)25-11-9-22(17-25)8-5-10-24(16-22)12-13-27-2/h3-4,6-7,15H,5,8-14,16-17H2,1-2H3.
What are the key properties of 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone?
1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 369.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 56895188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).