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

C25H34FN3O5 — CID 11540156

IUPAC[(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)O[C@H]2CCOC2)c2ccc(F)cc23)CC1
InChIInChI=1S/C25H34FN3O5/c1-2-33-23(30)28-10-5-19(6-11-28)27-12-8-25(9-13-27)17-29(22-4-3-18(26)15-21(22)25)24(31)34-20-7-14-32-16-20/h3-4,15,19-20H,2,5-14,16-17H2,1H3/t20-/m0/s1
InChIKeyJCPILQPCCPOGLB-FQEVSTJZSA-N
MW475.56 g/mol
LogP3.53
Rot. Bonds3

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

[(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 11540156) has the molecular formula C25H34FN3O5 and a molecular weight of 475.56 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID11540156
Molecular FormulaC25H34FN3O5
Molecular Weight475.56 g/mol
Exact Mass475.25
IUPAC Name[(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)O[C@H]2CCOC2)c2ccc(F)cc23)CC1
InChIInChI=1S/C25H34FN3O5/c1-2-33-23(30)28-10-5-19(6-11-28)27-12-8-25(9-13-27)17-29(22-4-3-18(26)15-21(22)25)24(31)34-20-7-14-32-16-20/h3-4,15,19-20H,2,5-14,16-17H2,1H3/t20-/m0/s1
InChIKeyJCPILQPCCPOGLB-FQEVSTJZSA-N
XLogP3.53
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 11540156) is [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)O[C@H]2CCOC2)c2ccc(F)cc23)CC1.
What is the InChIKey of [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is JCPILQPCCPOGLB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H34FN3O5/c1-2-33-23(30)28-10-5-19(6-11-28)27-12-8-25(9-13-27)17-29(22-4-3-18(26)15-21(22)25)24(31)34-20-7-14-32-16-20/h3-4,15,19-20H,2,5-14,16-17H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?
[(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 475.56 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 11540156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).