N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide

C34H41N5O3S — CID 70690619

About N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide

N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 70690619) has the molecular formula C34H41N5O3S and a molecular weight of 599.80 g/mol. Its IUPAC name is N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
• PubChem CID: 70690619
• Molecular Formula: C34H41N5O3S
• Molecular Weight: 599.80 g/mol
• Exact Mass: 599.29
• IUPAC Name: N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
• SMILES: O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC2(CC1)C(=O)Nc1ccccc12
• InChI: InChI=1S/C34H41N5O3S/c40-31(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-43-30-11-5-2-8-26(24)30)36-33(42)39-20-14-34(15-21-39)27-9-3-4-10-28(27)35-32(34)41/h2-5,8-11,23,25,29H,1,6-7,12-22H2,(H,35,41)(H,36,42)/t29-/m1/s1
• InChIKey: UAHBZNLOIROTLO-GDLZYMKVSA-N
• XLogP: 4.98
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.80
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide?

The IUPAC name of N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide (CID 70690619) is N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide?

The canonical SMILES for N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide is O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC2(CC1)C(=O)Nc1ccccc12.

What is the InChIKey of N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide?

The InChIKey is UAHBZNLOIROTLO-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H41N5O3S/c40-31(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-43-30-11-5-2-8-26(24)30)36-33(42)39-20-14-34(15-21-39)27-9-3-4-10-28(27)35-32(34)41/h2-5,8-11,23,25,29H,1,6-7,12-22H2,(H,35,41)(H,36,42)/t29-/m1/s1.

What are the key properties of N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide?

N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 599.80 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 70690619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).