3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

C16H29N3O — CID 83260804

IUPAC3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1C1CCN(C)C(C)C1
InChIInChI=1S/C16H29N3O/c1-4-14-17-16(8-5-6-9-16)15(20)19(14)13-7-10-18(3)12(2)11-13/h12-14,17H,4-11H2,1-3H3
InChIKeyGHENSRZWQMTUQN-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.95
Rot. Bonds2

About 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83260804) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83260804
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1C1CCN(C)C(C)C1
InChIInChI=1S/C16H29N3O/c1-4-14-17-16(8-5-6-9-16)15(20)19(14)13-7-10-18(3)12(2)11-13/h12-14,17H,4-11H2,1-3H3
InChIKeyGHENSRZWQMTUQN-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83260804) is 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is CCC1NC2(CCCC2)C(=O)N1C1CCN(C)C(C)C1.
What is the InChIKey of 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is GHENSRZWQMTUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-14-17-16(8-5-6-9-16)15(20)19(14)13-7-10-18(3)12(2)11-13/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 279.43 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83260804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).