3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide

C37H40N2O3 — CID 139498352

About 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide

3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide (PubChem CID 139498352) has the molecular formula C37H40N2O3 and a molecular weight of 560.74 g/mol. Its IUPAC name is 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide.

Molecular Properties

• Compound Name: 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide
• PubChem CID: 139498352
• Molecular Formula: C37H40N2O3
• Molecular Weight: 560.74 g/mol
• Exact Mass: 560.30
• IUPAC Name: 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide
• SMILES: Cc1c(COc2cc(OCc3cccc(C(N)=O)c3)c(CN3CCCCC3)c3c2CCC3)cccc1-c1ccccc1
• InChI: InChI=1S/C37H40N2O3/c1-26-30(15-9-16-31(26)28-12-4-2-5-13-28)25-42-35-22-36(41-24-27-11-8-14-29(21-27)37(38)40)34(32-17-10-18-33(32)35)23-39-19-6-3-7-20-39/h2,4-5,8-9,11-16,21-22H,3,6-7,10,17-20,23-25H2,1H3,(H2,38,40)
• InChIKey: ZQTQGMIYZPBVOO-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.74
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide?

The IUPAC name of 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide (CID 139498352) is 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide.

What is the SMILES notation for 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide?

The canonical SMILES for 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide is Cc1c(COc2cc(OCc3cccc(C(N)=O)c3)c(CN3CCCCC3)c3c2CCC3)cccc1-c1ccccc1.

What is the InChIKey of 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide?

The InChIKey is ZQTQGMIYZPBVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N2O3/c1-26-30(15-9-16-31(26)28-12-4-2-5-13-28)25-42-35-22-36(41-24-27-11-8-14-29(21-27)37(38)40)34(32-17-10-18-33(32)35)23-39-19-6-3-7-20-39/h2,4-5,8-9,11-16,21-22H,3,6-7,10,17-20,23-25H2,1H3,(H2,38,40).

What are the key properties of 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide?

3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide has a molecular weight of 560.74 g/mol, XLogP of 7.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[7-[(2-methyl-3-phenylphenyl)methoxy]-4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzamide is sourced from PubChem (CID 139498352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).