1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C18H27N3O2 — CID 56872090

IUPAC1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H27N3O2/c22-17(21-11-9-18(10-12-21)8-3-13-23-18)7-6-16-14-4-1-2-5-15(14)19-20-16/h1-13H2,(H,19,20)
InChIKeyFKQAQBNCVGEZLM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.39
Rot. Bonds3

About 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 56872090) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID56872090
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H27N3O2/c22-17(21-11-9-18(10-12-21)8-3-13-23-18)7-6-16-14-4-1-2-5-15(14)19-20-16/h1-13H2,(H,19,20)
InChIKeyFKQAQBNCVGEZLM-UHFFFAOYSA-N
XLogP2.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 56872090) is 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is O=C(CCc1n[nH]c2c1CCCC2)N1CCC2(CCCO2)CC1.
What is the InChIKey of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is FKQAQBNCVGEZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17(21-11-9-18(10-12-21)8-3-13-23-18)7-6-16-14-4-1-2-5-15(14)19-20-16/h1-13H2,(H,19,20).
What are the key properties of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 56872090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).