N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide

C29H38N4O3S — CID 143048854

About N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide

N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 143048854) has the molecular formula C29H38N4O3S and a molecular weight of 522.72 g/mol. Its IUPAC name is N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide
• PubChem CID: 143048854
• Molecular Formula: C29H38N4O3S
• Molecular Weight: 522.72 g/mol
• Exact Mass: 522.27
• IUPAC Name: N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide
• SMILES: O=C(CN1CCCCC1)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S)c1ccccc12
• InChI: InChI=1S/C29H38N4O3S/c34-27(19-31-15-7-2-8-16-31)30-25(21-36-20-23-9-3-1-4-10-23)28(35)32-17-13-29(14-18-32)22-33(37)26-12-6-5-11-24(26)29/h1,3-6,9-12,25,37H,2,7-8,13-22H2,(H,30,34)/t25-/m1/s1
• InChIKey: YPUBESGRIWEXFW-RUZDIDTESA-N
• XLogP: 3.40
• TPSA: 65.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.72
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide?

The IUPAC name of N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide (CID 143048854) is N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide.

What is the SMILES notation for N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide?

The canonical SMILES for N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S)c1ccccc12.

What is the InChIKey of N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide?

The InChIKey is YPUBESGRIWEXFW-RUZDIDTESA-N. The full InChI is InChI=1S/C29H38N4O3S/c34-27(19-31-15-7-2-8-16-31)30-25(21-36-20-23-9-3-1-4-10-23)28(35)32-17-13-29(14-18-32)22-33(37)26-12-6-5-11-24(26)29/h1,3-6,9-12,25,37H,2,7-8,13-22H2,(H,30,34)/t25-/m1/s1.

What are the key properties of N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide?

N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 522.72 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-oxo-3-phenylmethoxy-1-(1-sulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 143048854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).