6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one

C12H20N2O2 — CID 105482203

IUPAC6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one
SMILESO=C1CC2(CCC2)ON1CC1CCCCN1
InChIInChI=1S/C12H20N2O2/c15-11-8-12(5-3-6-12)16-14(11)9-10-4-1-2-7-13-10/h10,13H,1-9H2
InChIKeyZFDDIBNLLDPYTF-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds2

About 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one

6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one (PubChem CID 105482203) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one
PubChem CID105482203
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one
SMILESO=C1CC2(CCC2)ON1CC1CCCCN1
InChIInChI=1S/C12H20N2O2/c15-11-8-12(5-3-6-12)16-14(11)9-10-4-1-2-7-13-10/h10,13H,1-9H2
InChIKeyZFDDIBNLLDPYTF-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105464224
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
2-(piperidin-2-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437191
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
1-(piperidin-2-ylmethyl)-4-propylimidazolidin-2-one
CID 116979133
3-(piperidin-2-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 105482162
1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
2-(2-piperidin-2-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437197
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
The IUPAC name of 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one (CID 105482203) is 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one.
What is the SMILES notation for 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
The canonical SMILES for 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one is O=C1CC2(CCC2)ON1CC1CCCCN1.
What is the InChIKey of 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
The InChIKey is ZFDDIBNLLDPYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-8-12(5-3-6-12)16-14(11)9-10-4-1-2-7-13-10/h10,13H,1-9H2.
What are the key properties of 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one has a molecular weight of 224.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 105482203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).