5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

C11H18N2O2 — CID 105464224

IUPAC5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESO=C1CC2(CC2)ON1CC1CCCNC1
InChIInChI=1S/C11H18N2O2/c14-10-6-11(3-4-11)15-13(10)8-9-2-1-5-12-7-9/h9,12H,1-8H2
InChIKeyNUHVJAWBVJGMGJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.68
Rot. Bonds2

About 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (PubChem CID 105464224) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
PubChem CID105464224
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESO=C1CC2(CC2)ON1CC1CCCNC1
InChIInChI=1S/C11H18N2O2/c14-10-6-11(3-4-11)15-13(10)8-9-2-1-5-12-7-9/h9,12H,1-8H2
InChIKeyNUHVJAWBVJGMGJ-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one
CID 105480988
2-(pyrrolidin-3-ylmethyl)oxazinan-3-one
CID 105441244
6,6-dimethyl-3-(piperidin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836309
2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 80564107
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979
2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one
CID 105434511
9-(piperidin-3-ylmethyl)-6-oxa-9-azaspiro[3.6]decane
CID 120856412
1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105481028
3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
CID 120857361
2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 80564005
4-(hydroxymethyl)-1-(piperidin-3-ylmethyl)pyrrolidin-2-one
CID 168661808
2-(2-piperidin-3-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 60895517

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (CID 105464224) is 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is O=C1CC2(CC2)ON1CC1CCCNC1.
What is the InChIKey of 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The InChIKey is NUHVJAWBVJGMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10-6-11(3-4-11)15-13(10)8-9-2-1-5-12-7-9/h9,12H,1-8H2.
What are the key properties of 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105464224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).