1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

C17H27N3O2 — CID 56872776

IUPAC1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C17H27N3O2/c1-13(2)15-18-8-11-20(15)14(3)16(21)19-9-6-17(7-10-19)5-4-12-22-17/h8,11,13-14H,4-7,9-10,12H2,1-3H3
InChIKeyDZPFQIQTOVJQLK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.74
Rot. Bonds3

About 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 56872776) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID56872776
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C17H27N3O2/c1-13(2)15-18-8-11-20(15)14(3)16(21)19-9-6-17(7-10-19)5-4-12-22-17/h8,11,13-14H,4-7,9-10,12H2,1-3H3
InChIKeyDZPFQIQTOVJQLK-UHFFFAOYSA-N
XLogP2.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 56872776) is 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1C(C)C(=O)N1CCC2(CCCO2)CC1.
What is the InChIKey of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is DZPFQIQTOVJQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)15-18-8-11-20(15)14(3)16(21)19-9-6-17(7-10-19)5-4-12-22-17/h8,11,13-14H,4-7,9-10,12H2,1-3H3.
What are the key properties of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 56872776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).