3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride

C17H29ClN4O3 — CID 120819908

About 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride

3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride (PubChem CID 120819908) has the molecular formula C17H29ClN4O3 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
• PubChem CID: 120819908
• Molecular Formula: C17H29ClN4O3
• Molecular Weight: 372.90 g/mol
• Exact Mass: 372.19
• IUPAC Name: 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
• SMILES: CC(C(=O)N1CCC(N)C(C)(C)C1)N1C(=O)NC2(CCCC2)C1=O.Cl
• InChI: InChI=1S/C17H28N4O3.ClH/c1-11(13(22)20-9-6-12(18)16(2,3)10-20)21-14(23)17(19-15(21)24)7-4-5-8-17;/h11-12H,4-10,18H2,1-3H3,(H,19,24);1H
• InChIKey: SGXRRVVMDGVHNU-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• 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	1.25
H-Bond Donors ≤ 5	2
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-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?

The IUPAC name of 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride (CID 120819908) is 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride.

What is the SMILES notation for 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?

The canonical SMILES for 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride is CC(C(=O)N1CCC(N)C(C)(C)C1)N1C(=O)NC2(CCCC2)C1=O.Cl.

What is the InChIKey of 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?

The InChIKey is SGXRRVVMDGVHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.ClH/c1-11(13(22)20-9-6-12(18)16(2,3)10-20)21-14(23)17(19-15(21)24)7-4-5-8-17;/h11-12H,4-10,18H2,1-3H3,(H,19,24);1H.

What are the key properties of 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?

3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride is sourced from PubChem (CID 120819908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).