N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide

C26H32N4O4 — CID 124941690

About N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide

N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide (PubChem CID 124941690) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
• PubChem CID: 124941690
• Molecular Formula: C26H32N4O4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.24
• IUPAC Name: N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide
• SMILES: CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C)c1
• InChI: InChI=1S/C26H32N4O4/c1-27-25(32)20-8-5-7-19(17-20)22-18-30(14-13-28(22)2)26(33)21-9-3-4-10-23(21)34-16-15-29-12-6-11-24(29)31/h3-5,7-10,17,22H,6,11-16,18H2,1-2H3,(H,27,32)/t22-/m1/s1
• InChIKey: APCBQBLBTPMDML-JOCHJYFZSA-N
• XLogP: 2.18
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?

The IUPAC name of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide (CID 124941690) is N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide.

What is the SMILES notation for N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?

The canonical SMILES for N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide is CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C)c1.

What is the InChIKey of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?

The InChIKey is APCBQBLBTPMDML-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-27-25(32)20-8-5-7-19(17-20)22-18-30(14-13-28(22)2)26(33)21-9-3-4-10-23(21)34-16-15-29-12-6-11-24(29)31/h3-5,7-10,17,22H,6,11-16,18H2,1-2H3,(H,27,32)/t22-/m1/s1.

What are the key properties of N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide?

N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[(2S)-1-methyl-4-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]piperazin-2-yl]benzamide is sourced from PubChem (CID 124941690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).