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

C25H35N3O3 — CID 36608472

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

1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 36608472) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 36608472
• Molecular Formula: C25H35N3O3
• Molecular Weight: 425.57 g/mol
• Exact Mass: 425.27
• IUPAC Name: 1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: Cc1ccc(CCC2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)cc1
• InChI: InChI=1S/C25H35N3O3/c1-19-6-8-20(9-7-19)10-11-21-12-16-27(17-13-21)22(29)18-28-23(30)25(26(2)24(28)31)14-4-3-5-15-25/h6-9,21H,3-5,10-18H2,1-2H3
• InChIKey: LHOWGEGUCQALCS-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 60.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.57
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 36608472) is 1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

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

The canonical SMILES for 1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(CCC2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)cc1.

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

The InChIKey is LHOWGEGUCQALCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-19-6-8-20(9-7-19)10-11-21-12-16-27(17-13-21)22(29)18-28-23(30)25(26(2)24(28)31)14-4-3-5-15-25/h6-9,21H,3-5,10-18H2,1-2H3.

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

1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 425.57 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 36608472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).