[(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

C25H34FN3O4 — CID 11648259

IUPAC[(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCC(=O)N1CC2(CCN(CC3CCN(C(=O)O[C@@H]4CCOC4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H34FN3O4/c1-18(30)29-17-25(22-14-20(26)2-3-23(22)29)7-11-27(12-8-25)15-19-4-9-28(10-5-19)24(31)33-21-6-13-32-16-21/h2-3,14,19,21H,4-13,15-17H2,1H3/t21-/m1/s1
InChIKeyVGUDXDIUIQHRNZ-OAQYLSRUSA-N
MW459.56 g/mol
LogP3.16
Rot. Bonds3

About [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

[(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 11648259) has the molecular formula C25H34FN3O4 and a molecular weight of 459.56 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID11648259
Molecular FormulaC25H34FN3O4
Molecular Weight459.56 g/mol
Exact Mass459.25
IUPAC Name[(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCC(=O)N1CC2(CCN(CC3CCN(C(=O)O[C@@H]4CCOC4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H34FN3O4/c1-18(30)29-17-25(22-14-20(26)2-3-23(22)29)7-11-27(12-8-25)15-19-4-9-28(10-5-19)24(31)33-21-6-13-32-16-21/h2-3,14,19,21H,4-13,15-17H2,1H3/t21-/m1/s1
InChIKeyVGUDXDIUIQHRNZ-OAQYLSRUSA-N
XLogP3.16
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (CID 11648259) is [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is CC(=O)N1CC2(CCN(CC3CCN(C(=O)O[C@@H]4CCOC4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The InChIKey is VGUDXDIUIQHRNZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H34FN3O4/c1-18(30)29-17-25(22-14-20(26)2-3-23(22)29)7-11-27(12-8-25)15-19-4-9-28(10-5-19)24(31)33-21-6-13-32-16-21/h2-3,14,19,21H,4-13,15-17H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
[(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate has a molecular weight of 459.56 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 11648259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).