3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C24H38N4O2 — CID 50779591

About 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779591) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
• PubChem CID: 50779591
• Molecular Formula: C24H38N4O2
• Molecular Weight: 414.59 g/mol
• Exact Mass: 414.30
• IUPAC Name: 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
• SMILES: Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2C)c1
• InChI: InChI=1S/C24H38N4O2/c1-19-16-20(2)18-22(17-19)24(30)28(15-14-26-10-5-4-6-21(26)3)11-7-23(29)27-12-8-25-9-13-27/h16-18,21,25H,4-15H2,1-3H3
• InChIKey: IWBLPBOGBOWJBF-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.59
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

The IUPAC name of 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779591) is 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

The canonical SMILES for 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)CCN2CCCCC2C)c1.

What is the InChIKey of 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

The InChIKey is IWBLPBOGBOWJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-19-16-20(2)18-22(17-19)24(30)28(15-14-26-10-5-4-6-21(26)3)11-7-23(29)27-12-8-25-9-13-27/h16-18,21,25H,4-15H2,1-3H3.

What are the key properties of 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 414.59 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).