4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C43H68N8O4 — CID 91108564

About 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 91108564) has the molecular formula C43H68N8O4 and a molecular weight of 761.07 g/mol. Its IUPAC name is 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

• Compound Name: 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
• PubChem CID: 91108564
• Molecular Formula: C43H68N8O4
• Molecular Weight: 761.07 g/mol
• Exact Mass: 760.54
• IUPAC Name: 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
• SMILES: COc1cc(N)c(C)cc1C(=O)NC1CCN(CC2CCN(C)CC2)CC1.Cc1cc(C(=O)NC2CCN(CC3CCN(C)CC3)CC2)c2c(c1N)CCO2
• InChI: InChI=1S/C22H34N4O2.C21H34N4O2/c1-15-13-19(21-18(20(15)23)7-12-28-21)22(27)24-17-5-10-26(11-6-17)14-16-3-8-25(2)9-4-16;1-15-12-18(20(27-3)13-19(15)22)21(26)23-17-6-10-25(11-7-17)14-16-4-8-24(2)9-5-16/h13,16-17H,3-12,14,23H2,1-2H3,(H,24,27);12-13,16-17H,4-11,14,22H2,1-3H3,(H,23,26)
• InChIKey: CARMVLNZBUZNCY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 141.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	761.07
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

The IUPAC name of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 91108564) is 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

What is the SMILES notation for 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

The canonical SMILES for 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is COc1cc(N)c(C)cc1C(=O)NC1CCN(CC2CCN(C)CC2)CC1.Cc1cc(C(=O)NC2CCN(CC3CCN(C)CC3)CC2)c2c(c1N)CCO2.

What is the InChIKey of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

The InChIKey is CARMVLNZBUZNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2.C21H34N4O2/c1-15-13-19(21-18(20(15)23)7-12-28-21)22(27)24-17-5-10-26(11-6-17)14-16-3-8-25(2)9-4-16;1-15-12-18(20(27-3)13-19(15)22)21(26)23-17-6-10-25(11-7-17)14-16-4-8-24(2)9-5-16/h13,16-17H,3-12,14,23H2,1-2H3,(H,24,27);12-13,16-17H,4-11,14,22H2,1-3H3,(H,23,26).

What are the key properties of 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?

4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 761.07 g/mol, XLogP of 4.17, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-methoxy-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]benzamide;4-amino-5-methyl-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 91108564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).