1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone

C16H19N3O3 — CID 3236949

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19N3O3/c20-15(12-19-14-4-2-1-3-13(14)11-17-19)18-7-5-16(6-8-18)21-9-10-22-16/h1-4,11H,5-10,12H2
InChIKeySSUZCWWSVDNVNY-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.40
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone (PubChem CID 3236949) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone
PubChem CID3236949
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19N3O3/c20-15(12-19-14-4-2-1-3-13(14)11-17-19)18-7-5-16(6-8-18)21-9-10-22-16/h1-4,11H,5-10,12H2
InChIKeySSUZCWWSVDNVNY-UHFFFAOYSA-N
XLogP1.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone (CID 3236949) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone is O=C(Cn1ncc2ccccc21)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone?
The InChIKey is SSUZCWWSVDNVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(12-19-14-4-2-1-3-13(14)11-17-19)18-7-5-16(6-8-18)21-9-10-22-16/h1-4,11H,5-10,12H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone has a molecular weight of 301.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-indazol-1-ylethanone is sourced from PubChem (CID 3236949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).