[1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

C26H28ClN3O2S — CID 90309362

About [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate

[1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 90309362) has the molecular formula C26H28ClN3O2S and a molecular weight of 482.05 g/mol. Its IUPAC name is [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

• Compound Name: [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
• PubChem CID: 90309362
• Molecular Formula: C26H28ClN3O2S
• Molecular Weight: 482.05 g/mol
• Exact Mass: 481.16
• IUPAC Name: [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
• SMILES: CC(C)N1CCC(NC(=O)Oc2cc3ccccc3n2Cc2cc3ccc(Cl)cc3s2)CC1
• InChI: InChI=1S/C26H28ClN3O2S/c1-17(2)29-11-9-21(10-12-29)28-26(31)32-25-14-18-5-3-4-6-23(18)30(25)16-22-13-19-7-8-20(27)15-24(19)33-22/h3-8,13-15,17,21H,9-12,16H2,1-2H3,(H,28,31)
• InChIKey: RGFLKJKFQDCVJA-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.05
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

The IUPAC name of [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate (CID 90309362) is [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate.

What is the SMILES notation for [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

The canonical SMILES for [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is CC(C)N1CCC(NC(=O)Oc2cc3ccccc3n2Cc2cc3ccc(Cl)cc3s2)CC1.

What is the InChIKey of [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

The InChIKey is RGFLKJKFQDCVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2S/c1-17(2)29-11-9-21(10-12-29)28-26(31)32-25-14-18-5-3-4-6-23(18)30(25)16-22-13-19-7-8-20(27)15-24(19)33-22/h3-8,13-15,17,21H,9-12,16H2,1-2H3,(H,28,31).

What are the key properties of [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate?

[1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 482.05 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(6-chloro-1-benzothiophen-2-yl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 90309362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).