1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C18H23N3O — CID 50985596

IUPAC1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1c[nH]c3ccccc13)C2
InChIInChI=1S/C18H23N3O/c1-20-9-6-18(7-10-20)8-11-21(13-18)17(22)15-12-19-16-5-3-2-4-14(15)16/h2-5,12,19H,6-11,13H2,1H3
InChIKeyADEONKBIFKMMAV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.73
Rot. Bonds1

About 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 50985596) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID50985596
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCC2(CC1)CCN(C(=O)c1c[nH]c3ccccc13)C2
InChIInChI=1S/C18H23N3O/c1-20-9-6-18(7-10-20)8-11-21(13-18)17(22)15-12-19-16-5-3-2-4-14(15)16/h2-5,12,19H,6-11,13H2,1H3
InChIKeyADEONKBIFKMMAV-UHFFFAOYSA-N
XLogP2.73
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 115273190
1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 122158370
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
CID 39378328
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 15952131
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 166303520
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816742

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 50985596) is 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is CN1CCC2(CC1)CCN(C(=O)c1c[nH]c3ccccc13)C2.
What is the InChIKey of 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is ADEONKBIFKMMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-9-6-18(7-10-20)8-11-21(13-18)17(22)15-12-19-16-5-3-2-4-14(15)16/h2-5,12,19H,6-11,13H2,1H3.
What are the key properties of 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 50985596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).