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

C25H34FN3O4 — CID 11648258

IUPAC[(3S)-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-/m0/s1
InChIKeyVGUDXDIUIQHRNZ-NRFANRHFSA-N
MW459.56 g/mol
LogP3.16
Rot. Bonds3

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

[(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 11648258) has the molecular formula C25H34FN3O4 and a molecular weight of 459.56 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID11648258
Molecular FormulaC25H34FN3O4
Molecular Weight459.56 g/mol
Exact Mass459.25
IUPAC Name[(3S)-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-/m0/s1
InChIKeyVGUDXDIUIQHRNZ-NRFANRHFSA-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

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

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Related Compounds

2-methoxyethyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 11503260
1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 11508484
[(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11511839
propyl 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 11517618
2,2-dimethylpropyl 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11518524
[(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11526754
[(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11540156
2-methylpropyl 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11547129
[(3R)-oxolan-3-yl] 3-(5-fluoro-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11547949
propan-2-yl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11554130
ethyl 4-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11561078
propyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 11567906

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of [(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate (CID 11648258) is [(3S)-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 [(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for [(3S)-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 [(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
The InChIKey is VGUDXDIUIQHRNZ-NRFANRHFSA-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-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate?
[(3S)-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 [(3S)-oxolan-3-yl] 4-[(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 11648258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).