1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone

C16H17FN2O3 — CID 4898181

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H17FN2O3/c17-12-1-2-13-11(9-12)10-14(18-13)15(20)19-5-3-16(4-6-19)21-7-8-22-16/h1-2,9-10,18H,3-8H2
InChIKeyOIISHVNQWWZZFZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.29
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 4898181) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID4898181
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H17FN2O3/c17-12-1-2-13-11(9-12)10-14(18-13)15(20)19-5-3-16(4-6-19)21-7-8-22-16/h1-2,9-10,18H,3-8H2
InChIKeyOIISHVNQWWZZFZ-UHFFFAOYSA-N
XLogP2.29
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone (CID 4898181) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is OIISHVNQWWZZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-12-1-2-13-11(9-12)10-14(18-13)15(20)19-5-3-16(4-6-19)21-7-8-22-16/h1-2,9-10,18H,3-8H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 304.32 g/mol, XLogP of 2.29, 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-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 4898181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).