1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone

C17H19FN2O3 — CID 113205147

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC3(CC2)OCCO3)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H19FN2O3/c1-11-13-3-2-12(18)10-14(13)19-15(11)16(21)20-6-4-17(5-7-20)22-8-9-23-17/h2-3,10,19H,4-9H2,1H3
InChIKeyVPASFEKZAHDYIA-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.59
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone (PubChem CID 113205147) 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-3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
PubChem CID113205147
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC3(CC2)OCCO3)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H19FN2O3/c1-11-13-3-2-12(18)10-14(13)19-15(11)16(21)20-6-4-17(5-7-20)22-8-9-23-17/h2-3,10,19H,4-9H2,1H3
InChIKeyVPASFEKZAHDYIA-UHFFFAOYSA-N
XLogP2.59
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.59
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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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132764186
(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-1-methylindol-2-yl)methanone
CID 110853540
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 72929058
(2S)-4-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 124953771
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372936
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone (CID 113205147) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone is Cc1c(C(=O)N2CCC3(CC2)OCCO3)[nH]c2cc(F)ccc12.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone?
The InChIKey is VPASFEKZAHDYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11-13-3-2-12(18)10-14(13)19-15(11)16(21)20-6-4-17(5-7-20)22-8-9-23-17/h2-3,10,19H,4-9H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone has a molecular weight of 318.35 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 113205147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).