3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride

C30H33ClN2O2 — CID 139845156

About 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride

3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride (PubChem CID 139845156) has the molecular formula C30H33ClN2O2 and a molecular weight of 489.06 g/mol. Its IUPAC name is 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride
• PubChem CID: 139845156
• Molecular Formula: C30H33ClN2O2
• Molecular Weight: 489.06 g/mol
• Exact Mass: 488.22
• IUPAC Name: 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride
• SMILES: Cl.O=C1Nc2ccccc2C1(CC1CCCN(CCc2ccc3c(c2)CCO3)C1)c1ccccc1
• InChI: InChI=1S/C30H32N2O2.ClH/c33-29-30(25-8-2-1-3-9-25,26-10-4-5-11-27(26)31-29)20-23-7-6-16-32(21-23)17-14-22-12-13-28-24(19-22)15-18-34-28;/h1-5,8-13,19,23H,6-7,14-18,20-21H2,(H,31,33);1H
• InChIKey: QYPYELXIEHVQCQ-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.06
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride?

The IUPAC name of 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride (CID 139845156) is 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride.

What is the SMILES notation for 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride?

The canonical SMILES for 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride is Cl.O=C1Nc2ccccc2C1(CC1CCCN(CCc2ccc3c(c2)CCO3)C1)c1ccccc1.

What is the InChIKey of 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride?

The InChIKey is QYPYELXIEHVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2.ClH/c33-29-30(25-8-2-1-3-9-25,26-10-4-5-11-27(26)31-29)20-23-7-6-16-32(21-23)17-14-22-12-13-28-24(19-22)15-18-34-28;/h1-5,8-13,19,23H,6-7,14-18,20-21H2,(H,31,33);1H.

What are the key properties of 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride?

3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride has a molecular weight of 489.06 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride is sourced from PubChem (CID 139845156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).