8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

C18H19FN2O3 — CID 132764186

IUPAC8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCc1c(C(=O)N2CCC3(CCCO3)C(=O)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C18H19FN2O3/c1-11-13-9-12(19)3-4-14(13)20-16(11)17(23)21-7-6-18(15(22)10-21)5-2-8-24-18/h3-4,9,20H,2,5-8,10H2,1H3
InChIKeyCUGAEKFDTXBAPM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.58
Rot. Bonds1

About 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (PubChem CID 132764186) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
PubChem CID132764186
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCc1c(C(=O)N2CCC3(CCCO3)C(=O)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C18H19FN2O3/c1-11-13-9-12(19)3-4-14(13)20-16(11)17(23)21-7-6-18(15(22)10-21)5-2-8-24-18/h3-4,9,20H,2,5-8,10H2,1H3
InChIKeyCUGAEKFDTXBAPM-UHFFFAOYSA-N
XLogP2.58
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
(5-fluoro-3-methyl-1H-indol-2-yl)-[4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 110123307
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147
(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 124953771
8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775486
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 72929058
(8aS)-7-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126453991
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 155983480
[(4aS,8aS)-4a,5-dimethyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 110133547
[2-[1-(5-fluoro-3-methyl-1H-indole-2-carbonyl)piperidin-3-yl]-4-methylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 110084751

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The IUPAC name of 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (CID 132764186) is 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.
What is the SMILES notation for 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The canonical SMILES for 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is Cc1c(C(=O)N2CCC3(CCCO3)C(=O)C2)[nH]c2ccc(F)cc12.
What is the InChIKey of 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The InChIKey is CUGAEKFDTXBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-13-9-12(19)3-4-14(13)20-16(11)17(23)21-7-6-18(15(22)10-21)5-2-8-24-18/h3-4,9,20H,2,5-8,10H2,1H3.
What are the key properties of 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one has a molecular weight of 330.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 132764186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).