3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one

C14H25N3O — CID 83246101

IUPAC3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CCN2CCCCC2)CNC12CCCC2
InChIInChI=1S/C14H25N3O/c18-13-14(6-2-3-7-14)15-12-17(13)11-10-16-8-4-1-5-9-16/h15H,1-12H2
InChIKeyLZGSCUGUVYQFPS-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.17
Rot. Bonds3

About 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one

3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83246101) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83246101
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CCN2CCCCC2)CNC12CCCC2
InChIInChI=1S/C14H25N3O/c18-13-14(6-2-3-7-14)15-12-17(13)11-10-16-8-4-1-5-9-16/h15H,1-12H2
InChIKeyLZGSCUGUVYQFPS-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83246101) is 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one is O=C1N(CCN2CCCCC2)CNC12CCCC2.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is LZGSCUGUVYQFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-13-14(6-2-3-7-14)15-12-17(13)11-10-16-8-4-1-5-9-16/h15H,1-12H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 251.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83246101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).