5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide

C28H36N6O2 — CID 165116020

About 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide

5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 165116020) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
• PubChem CID: 165116020
• Molecular Formula: C28H36N6O2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.29
• IUPAC Name: 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
• SMILES: Cc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(C)c2)c1
• InChI: InChI=1S/C28H36N6O2/c1-20-9-10-25(34-13-11-33(12-14-34)19-27(35)31(3)4)16-26(20)28(36)30-21(2)22-7-6-8-23(15-22)24-17-29-32(5)18-24/h6-10,15-18,21H,11-14,19H2,1-5H3,(H,30,36)/t21-/m1/s1
• InChIKey: WPYFLZATXBCBON-OAQYLSRUSA-N
• XLogP: 3.10
• TPSA: 73.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?

The IUPAC name of 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide (CID 165116020) is 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide.

What is the SMILES notation for 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?

The canonical SMILES for 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide is Cc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(C)c2)c1.

What is the InChIKey of 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?

The InChIKey is WPYFLZATXBCBON-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-20-9-10-25(34-13-11-33(12-14-34)19-27(35)31(3)4)16-26(20)28(36)30-21(2)22-7-6-8-23(15-22)24-17-29-32(5)18-24/h6-10,15-18,21H,11-14,19H2,1-5H3,(H,30,36)/t21-/m1/s1.

What are the key properties of 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?

5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 488.64 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 165116020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).