3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

C17H29ClN4O3 — CID 120570205

About 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 120570205) has the molecular formula C17H29ClN4O3 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
• PubChem CID: 120570205
• Molecular Formula: C17H29ClN4O3
• Molecular Weight: 372.90 g/mol
• Exact Mass: 372.19
• IUPAC Name: 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
• SMILES: CC1NCCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1C.Cl
• InChI: InChI=1S/C17H28N4O3.ClH/c1-12-13(2)20(10-9-18-12)14(22)11-21-15(23)17(19(3)16(21)24)7-5-4-6-8-17;/h12-13,18H,4-11H2,1-3H3;1H
• InChIKey: IEYOKNLKDGELMD-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.90
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The IUPAC name of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 120570205) is 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

What is the SMILES notation for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The canonical SMILES for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CC1NCCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1C.Cl.

What is the InChIKey of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The InChIKey is IEYOKNLKDGELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.ClH/c1-12-13(2)20(10-9-18-12)14(22)11-21-15(23)17(19(3)16(21)24)7-5-4-6-8-17;/h12-13,18H,4-11H2,1-3H3;1H.

What are the key properties of 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 120570205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).