4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride

C13H24ClN3O2 — CID 120572547

IUPAC4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
SMILESCC1NCCN(C(=O)C2CCN(C)C(=O)C2)C1C.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-9-10(2)16(7-5-14-9)13(18)11-4-6-15(3)12(17)8-11;/h9-11,14H,4-8H2,1-3H3;1H
InChIKeyZXGISJLWJAABGH-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.49
Rot. Bonds1

About 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride

4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride (PubChem CID 120572547) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
PubChem CID120572547
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
SMILESCC1NCCN(C(=O)C2CCN(C)C(=O)C2)C1C.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-9-10(2)16(7-5-14-9)13(18)11-4-6-15(3)12(17)8-11;/h9-11,14H,4-8H2,1-3H3;1H
InChIKeyZXGISJLWJAABGH-UHFFFAOYSA-N
XLogP0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride 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 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride?
The IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride (CID 120572547) is 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride is CC1NCCN(C(=O)C2CCN(C)C(=O)C2)C1C.Cl.
What is the InChIKey of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride?
The InChIKey is ZXGISJLWJAABGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-9-10(2)16(7-5-14-9)13(18)11-4-6-15(3)12(17)8-11;/h9-11,14H,4-8H2,1-3H3;1H.
What are the key properties of 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride?
4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride is sourced from PubChem (CID 120572547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).