N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide

C23H32N4O2 — CID 131910672

About N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide

N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 131910672) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide
• PubChem CID: 131910672
• Molecular Formula: C23H32N4O2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.25
• IUPAC Name: N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide
• SMILES: COc1cc2c(cc1CN1CCC(CNC(=O)Cn3ccnc3C)CC1)CCC2
• InChI: InChI=1S/C23H32N4O2/c1-17-24-8-11-27(17)16-23(28)25-14-18-6-9-26(10-7-18)15-21-12-19-4-3-5-20(19)13-22(21)29-2/h8,11-13,18H,3-7,9-10,14-16H2,1-2H3,(H,25,28)
• InChIKey: UEYUORUYYZVNAK-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?

The IUPAC name of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide (CID 131910672) is N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide.

What is the SMILES notation for N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?

The canonical SMILES for N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide is COc1cc2c(cc1CN1CCC(CNC(=O)Cn3ccnc3C)CC1)CCC2.

What is the InChIKey of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?

The InChIKey is UEYUORUYYZVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17-24-8-11-27(17)16-23(28)25-14-18-6-9-26(10-7-18)15-21-12-19-4-3-5-20(19)13-22(21)29-2/h8,11-13,18H,3-7,9-10,14-16H2,1-2H3,(H,25,28).

What are the key properties of N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?

N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 396.54 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 131910672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).