2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide

C23H34N4O3 — CID 55563545

About 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide

2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 55563545) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
• PubChem CID: 55563545
• Molecular Formula: C23H34N4O3
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.26
• IUPAC Name: 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
• SMILES: Cc1ccccc1C(=O)NCCC(=O)N1CCN(CC(=O)N2CCCCC2C)CC1
• InChI: InChI=1S/C23H34N4O3/c1-18-7-3-4-9-20(18)23(30)24-11-10-21(28)26-15-13-25(14-16-26)17-22(29)27-12-6-5-8-19(27)2/h3-4,7,9,19H,5-6,8,10-17H2,1-2H3,(H,24,30)
• InChIKey: DTMYLOJWZCSPMH-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The IUPAC name of 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide (CID 55563545) is 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide.

What is the SMILES notation for 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The canonical SMILES for 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)N1CCN(CC(=O)N2CCCCC2C)CC1.

What is the InChIKey of 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The InChIKey is DTMYLOJWZCSPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-18-7-3-4-9-20(18)23(30)24-11-10-21(28)26-15-13-25(14-16-26)17-22(29)27-12-6-5-8-19(27)2/h3-4,7,9,19H,5-6,8,10-17H2,1-2H3,(H,24,30).

What are the key properties of 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide?

2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 55563545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).