6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one

C12H21N3O — CID 105480988

IUPAC6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one
SMILESO=C1CC2(CCC2)NN1CC1CCCNC1
InChIInChI=1S/C12H21N3O/c16-11-7-12(4-2-5-12)14-15(11)9-10-3-1-6-13-8-10/h10,13-14H,1-9H2
InChIKeyUIBWZOVNIUIOQT-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.65
Rot. Bonds2

About 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one

6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one (PubChem CID 105480988) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one
PubChem CID105480988
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one
SMILESO=C1CC2(CCC2)NN1CC1CCCNC1
InChIInChI=1S/C12H21N3O/c16-11-7-12(4-2-5-12)14-15(11)9-10-3-1-6-13-8-10/h10,13-14H,1-9H2
InChIKeyUIBWZOVNIUIOQT-UHFFFAOYSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
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
2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
CID 105450018
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
5-(piperidin-3-ylmethyl)-5-azaspiro[3.4]octane;hydrochloride
CID 120858012
2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 80564005
1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105481028
3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
CID 120857361
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
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one?
The IUPAC name of 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one (CID 105480988) is 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one.
What is the SMILES notation for 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one?
The canonical SMILES for 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one is O=C1CC2(CCC2)NN1CC1CCCNC1.
What is the InChIKey of 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one?
The InChIKey is UIBWZOVNIUIOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-11-7-12(4-2-5-12)14-15(11)9-10-3-1-6-13-8-10/h10,13-14H,1-9H2.
What are the key properties of 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one?
6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one has a molecular weight of 223.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one is sourced from PubChem (CID 105480988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).