1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H32N4O5 — CID 55507898

About 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55507898) has the molecular formula C21H32N4O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 55507898
• Molecular Formula: C21H32N4O5
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.24
• IUPAC Name: 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: CN1C(=O)N(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)C(=O)C12CCCCC2
• InChI: InChI=1S/C21H32N4O5/c1-22-20(29)25(19(28)21(22)7-3-2-4-8-21)15-17(26)24-9-5-6-16(14-24)18(27)23-10-12-30-13-11-23/h16H,2-15H2,1H3
• InChIKey: ZHVGTVSGEAHWNI-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 90.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55507898) is 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

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

The canonical SMILES for 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(CC(=O)N2CCCC(C(=O)N3CCOCC3)C2)C(=O)C12CCCCC2.

What is the InChIKey of 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is ZHVGTVSGEAHWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5/c1-22-20(29)25(19(28)21(22)7-3-2-4-8-21)15-17(26)24-9-5-6-16(14-24)18(27)23-10-12-30-13-11-23/h16H,2-15H2,1H3.

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

1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 420.51 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55507898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).