2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C28H32N6O3 — CID 5329623

About 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329623) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
• PubChem CID: 5329623
• Molecular Formula: C28H32N6O3
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.25
• IUPAC Name: 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
• SMILES: NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(N5CCOCC5)cc4)n[nH]c2-3)CC1
• InChI: InChI=1S/C28H32N6O3/c29-16-18-8-10-33(11-9-18)17-23(35)30-22-3-1-2-21-24(22)28(36)25-26(31-32-27(21)25)19-4-6-20(7-5-19)34-12-14-37-15-13-34/h1-7,18H,8-17,29H2,(H,30,35)(H,31,32)
• InChIKey: UDGMVUGWIIYQOU-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 116.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329623) is 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(N5CCOCC5)cc4)n[nH]c2-3)CC1.

What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The InChIKey is UDGMVUGWIIYQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c29-16-18-8-10-33(11-9-18)17-23(35)30-22-3-1-2-21-24(22)28(36)25-26(31-32-27(21)25)19-4-6-20(7-5-19)34-12-14-37-15-13-34/h1-7,18H,8-17,29H2,(H,30,35)(H,31,32).

What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 500.60 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).