3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide

C32H48N6O3 — CID 166958060

About 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide

3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide (PubChem CID 166958060) has the molecular formula C32H48N6O3 and a molecular weight of 564.78 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
• PubChem CID: 166958060
• Molecular Formula: C32H48N6O3
• Molecular Weight: 564.78 g/mol
• Exact Mass: 564.38
• IUPAC Name: 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
• SMILES: Cc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(-c2cnn(CCN3CCOCC3)c2)cc1N(C)C1CCCC1
• InChI: InChI=1S/C32H48N6O3/c1-22-16-23(2)35(4)32(40)29(22)20-33-31(39)28-17-25(18-30(24(28)3)36(5)27-8-6-7-9-27)26-19-34-38(21-26)11-10-37-12-14-41-15-13-37/h17-19,21-23,27,29H,6-16,20H2,1-5H3,(H,33,39)
• InChIKey: QQIZNMXHOSISBH-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 82.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.78
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?

The IUPAC name of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide (CID 166958060) is 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide.

What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?

The canonical SMILES for 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide is Cc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(-c2cnn(CCN3CCOCC3)c2)cc1N(C)C1CCCC1.

What is the InChIKey of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?

The InChIKey is QQIZNMXHOSISBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O3/c1-22-16-23(2)35(4)32(40)29(22)20-33-31(39)28-17-25(18-30(24(28)3)36(5)27-8-6-7-9-27)26-19-34-38(21-26)11-10-37-12-14-41-15-13-37/h17-19,21-23,27,29H,6-16,20H2,1-5H3,(H,33,39).

What are the key properties of 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?

3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide has a molecular weight of 564.78 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 166958060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).