3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione

C26H40N4O3 — CID 45202182

About 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione

3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 45202182) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
• PubChem CID: 45202182
• Molecular Formula: C26H40N4O3
• Molecular Weight: 456.63 g/mol
• Exact Mass: 456.31
• IUPAC Name: 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
• SMILES: CCC(C)C(=O)N1CCC(C2(Cc3ccccc3C)NC(=O)N(CCCN(C)C)C2=O)CC1
• InChI: InChI=1S/C26H40N4O3/c1-6-19(2)23(31)29-16-12-22(13-17-29)26(18-21-11-8-7-10-20(21)3)24(32)30(25(33)27-26)15-9-14-28(4)5/h7-8,10-11,19,22H,6,9,12-18H2,1-5H3,(H,27,33)
• InChIKey: DYNCDUCMAZGJJM-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.63
LogP ≤ 5	3.06
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-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione (CID 45202182) is 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione is CCC(C)C(=O)N1CCC(C2(Cc3ccccc3C)NC(=O)N(CCCN(C)C)C2=O)CC1.

What is the InChIKey of 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

The InChIKey is DYNCDUCMAZGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-6-19(2)23(31)29-16-12-22(13-17-29)26(18-21-11-8-7-10-20(21)3)24(32)30(25(33)27-26)15-9-14-28(4)5/h7-8,10-11,19,22H,6,9,12-18H2,1-5H3,(H,27,33).

What are the key properties of 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione?

3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 456.63 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45202182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).