N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C24H38N4O5 — CID 46323120

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 46323120) has the molecular formula C24H38N4O5 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
• PubChem CID: 46323120
• Molecular Formula: C24H38N4O5
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.28
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
• SMILES: CCN1CCCC1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1
• InChI: InChI=1S/C24H38N4O5/c1-5-26-11-6-7-19(26)17-28(12-8-22(29)27-13-9-25-10-14-27)24(30)18-15-20(31-2)23(33-4)21(16-18)32-3/h15-16,19,25H,5-14,17H2,1-4H3
• InChIKey: TYPXEBMTGDSAIM-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 83.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 46323120) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CCN1CCCC1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1.

What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

The InChIKey is TYPXEBMTGDSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O5/c1-5-26-11-6-7-19(26)17-28(12-8-22(29)27-13-9-25-10-14-27)24(30)18-15-20(31-2)23(33-4)21(16-18)32-3/h15-16,19,25H,5-14,17H2,1-4H3.

What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?

N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 462.59 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 46323120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).