4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide

C20H29ClN4O3 — CID 60529436

About 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide

4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide (PubChem CID 60529436) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
• PubChem CID: 60529436
• Molecular Formula: C20H29ClN4O3
• Molecular Weight: 408.93 g/mol
• Exact Mass: 408.19
• IUPAC Name: 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
• SMILES: CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)NC)CC1
• InChI: InChI=1S/C20H29ClN4O3/c1-4-14(2)18(23-19(27)15-5-7-16(21)8-6-15)20(28)25-11-9-24(10-12-25)13-17(26)22-3/h5-8,14,18H,4,9-13H2,1-3H3,(H,22,26)(H,23,27)
• InChIKey: XHUQJISWKUMKGB-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.93
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide (CID 60529436) is 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide.

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

The canonical SMILES for 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)NC)CC1.

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

The InChIKey is XHUQJISWKUMKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O3/c1-4-14(2)18(23-19(27)15-5-7-16(21)8-6-15)20(28)25-11-9-24(10-12-25)13-17(26)22-3/h5-8,14,18H,4,9-13H2,1-3H3,(H,22,26)(H,23,27).

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

4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide has a molecular weight of 408.93 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 60529436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).