2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide

C32H38N4O3 — CID 165116284

About 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide

2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide (PubChem CID 165116284) has the molecular formula C32H38N4O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide
• PubChem CID: 165116284
• Molecular Formula: C32H38N4O3
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.29
• IUPAC Name: 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide
• SMILES: Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(-c2cccc(C(=O)N3CCOCC3)c2)c1
• InChI: InChI=1S/C32H38N4O3/c1-23-10-11-29(35-14-12-34(3)13-15-35)22-30(23)31(37)33-24(2)25-6-4-7-26(20-25)27-8-5-9-28(21-27)32(38)36-16-18-39-19-17-36/h4-11,20-22,24H,12-19H2,1-3H3,(H,33,37)/t24-/m1/s1
• InChIKey: WOZWDXWVKKFFSO-XMMPIXPASA-N
• XLogP: 4.38
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide?

The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide (CID 165116284) is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide.

What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide?

The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(-c2cccc(C(=O)N3CCOCC3)c2)c1.

What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide?

The InChIKey is WOZWDXWVKKFFSO-XMMPIXPASA-N. The full InChI is InChI=1S/C32H38N4O3/c1-23-10-11-29(35-14-12-34(3)13-15-35)22-30(23)31(37)33-24(2)25-6-4-7-26(20-25)27-8-5-9-28(21-27)32(38)36-16-18-39-19-17-36/h4-11,20-22,24H,12-19H2,1-3H3,(H,33,37)/t24-/m1/s1.

What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide?

2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide has a molecular weight of 526.68 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 165116284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).