1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone

C17H19FN2O3 — CID 110853540

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2ccc(F)cc21
InChIInChI=1S/C17H19FN2O3/c1-19-14-11-13(18)3-2-12(14)10-15(19)16(21)20-6-4-17(5-7-20)22-8-9-23-17/h2-3,10-11H,4-9H2,1H3
InChIKeyCVAWWNFGAABXBV-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.30
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone (PubChem CID 110853540) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
PubChem CID110853540
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2ccc(F)cc21
InChIInChI=1S/C17H19FN2O3/c1-19-14-11-13(18)3-2-12(14)10-15(19)16(21)20-6-4-17(5-7-20)22-8-9-23-17/h2-3,10-11H,4-9H2,1H3
InChIKeyCVAWWNFGAABXBV-UHFFFAOYSA-N
XLogP2.30
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
CID 22579699
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
CID 67170382
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372936
[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110676188
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 118786071
[2-(2,4-difluoroanilino)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109331884

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone (CID 110853540) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCC3(CC2)OCCO3)cc2ccc(F)cc21.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone?
The InChIKey is CVAWWNFGAABXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-19-14-11-13(18)3-2-12(14)10-15(19)16(21)20-6-4-17(5-7-20)22-8-9-23-17/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone has a molecular weight of 318.35 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone is sourced from PubChem (CID 110853540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).