3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one

C18H25NO — CID 63160113

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
SMILESO=C(CCN1CCC2(CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H25NO/c20-17(16-6-2-1-3-7-16)8-13-19-14-11-18(12-15-19)9-4-5-10-18/h1-3,6-7H,4-5,8-15H2
InChIKeyCJSORXZYSVZAOS-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.92
Rot. Bonds4

About 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one

3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one (PubChem CID 63160113) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
PubChem CID63160113
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
SMILESO=C(CCN1CCC2(CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H25NO/c20-17(16-6-2-1-3-7-16)8-13-19-14-11-18(12-15-19)9-4-5-10-18/h1-3,6-7H,4-5,8-15H2
InChIKeyCJSORXZYSVZAOS-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one (CID 63160113) is 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one is O=C(CCN1CCC2(CCCC2)CC1)c1ccccc1.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one?
The InChIKey is CJSORXZYSVZAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-17(16-6-2-1-3-7-16)8-13-19-14-11-18(12-15-19)9-4-5-10-18/h1-3,6-7H,4-5,8-15H2.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one?
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 63160113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).