3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C23H33N5O3 — CID 166472201

About 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 166472201) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 166472201
• Molecular Formula: C23H33N5O3
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.26
• IUPAC Name: 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: CC(C)N(C)C1CCN(Cc2ccc3c(c2)n(C)c(=O)n3C2CCC(=O)NC2=O)CC1
• InChI: InChI=1S/C23H33N5O3/c1-15(2)25(3)17-9-11-27(12-10-17)14-16-5-6-18-20(13-16)26(4)23(31)28(18)19-7-8-21(29)24-22(19)30/h5-6,13,15,17,19H,7-12,14H2,1-4H3,(H,24,29,30)
• InChIKey: ZLSLEWZLRSGBAT-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 79.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 166472201) is 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CC(C)N(C)C1CCN(Cc2ccc3c(c2)n(C)c(=O)n3C2CCC(=O)NC2=O)CC1.

What is the InChIKey of 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is ZLSLEWZLRSGBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-15(2)25(3)17-9-11-27(12-10-17)14-16-5-6-18-20(13-16)26(4)23(31)28(18)19-7-8-21(29)24-22(19)30/h5-6,13,15,17,19H,7-12,14H2,1-4H3,(H,24,29,30).

What are the key properties of 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 427.55 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 166472201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).