3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

C21H36N4O3 — CID 119489483

About 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 119489483) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 119489483
• Molecular Formula: C21H36N4O3
• Molecular Weight: 392.54 g/mol
• Exact Mass: 392.28
• IUPAC Name: 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(NC)C1)C2=O
• InChI: InChI=1S/C21H36N4O3/c1-5-20(2,3)15-8-10-21(11-9-15)18(27)25(19(28)23-21)14-17(26)24-12-6-7-16(13-24)22-4/h15-16,22H,5-14H2,1-4H3,(H,23,28)
• InChIKey: DNCFOUPKKPXNGO-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.54
LogP ≤ 5	2.11
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-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 119489483) is 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(NC)C1)C2=O.

What is the InChIKey of 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is DNCFOUPKKPXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-5-20(2,3)15-8-10-21(11-9-15)18(27)25(19(28)23-21)14-17(26)24-12-6-7-16(13-24)22-4/h15-16,22H,5-14H2,1-4H3,(H,23,28).

What are the key properties of 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?

3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 392.54 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 119489483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).