6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

C12H21N3O — CID 83245860

IUPAC6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN1CCCC(N2CNC3(CC3)C2=O)C1
InChIInChI=1S/C12H21N3O/c1-2-14-7-3-4-10(8-14)15-9-13-12(5-6-12)11(15)16/h10,13H,2-9H2,1H3
InChIKeyLJPNKMDHARBDON-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds2

About 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245860) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245860
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCN1CCCC(N2CNC3(CC3)C2=O)C1
InChIInChI=1S/C12H21N3O/c1-2-14-7-3-4-10(8-14)15-9-13-12(5-6-12)11(15)16/h10,13H,2-9H2,1H3
InChIKeyLJPNKMDHARBDON-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83245860) is 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is CCN1CCCC(N2CNC3(CC3)C2=O)C1.
What is the InChIKey of 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is LJPNKMDHARBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-14-7-3-4-10(8-14)15-9-13-12(5-6-12)11(15)16/h10,13H,2-9H2,1H3.
What are the key properties of 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 223.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).