5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C19H26N4O3 — CID 110103362

About 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 110103362) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• PubChem CID: 110103362
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• SMILES: Cc1cccc(CC2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1
• InChI: InChI=1S/C19H26N4O3/c1-13-6-4-8-15(20-13)10-14-7-5-9-22(11-14)16(24)12-23-17(25)19(2,3)21-18(23)26/h4,6,8,14H,5,7,9-12H2,1-3H3,(H,21,26)
• InChIKey: CVZULHYQIUCOAD-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	1.50
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 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 110103362) is 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1cccc(CC2CCCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1.

What is the InChIKey of 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The InChIKey is CVZULHYQIUCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-6-4-8-15(20-13)10-14-7-5-9-22(11-14)16(24)12-23-17(25)19(2,3)21-18(23)26/h4,6,8,14H,5,7,9-12H2,1-3H3,(H,21,26).

What are the key properties of 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 110103362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).