ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C26H31FN4O3 — CID 59433120

IUPACethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)c2ccccn2)c2ccc(F)cc23)CC1
InChIInChI=1S/C26H31FN4O3/c1-2-34-25(33)30-13-8-20(9-14-30)29-15-10-26(11-16-29)18-31(23-7-6-19(27)17-21(23)26)24(32)22-5-3-4-12-28-22/h3-7,12,17,20H,2,8-11,13-16,18H2,1H3
InChIKeyFZXJOPLMVGKAOW-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.84
Rot. Bonds3

About ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 59433120) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID59433120
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Nameethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)c2ccccn2)c2ccc(F)cc23)CC1
InChIInChI=1S/C26H31FN4O3/c1-2-34-25(33)30-13-8-20(9-14-30)29-15-10-26(11-16-29)18-31(23-7-6-19(27)17-21(23)26)24(32)22-5-3-4-12-28-22/h3-7,12,17,20H,2,8-11,13-16,18H2,1H3
InChIKeyFZXJOPLMVGKAOW-UHFFFAOYSA-N
XLogP3.84
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 59433120) is ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)c2ccccn2)c2ccc(F)cc23)CC1.
What is the InChIKey of ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is FZXJOPLMVGKAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-2-34-25(33)30-13-8-20(9-14-30)29-15-10-26(11-16-29)18-31(23-7-6-19(27)17-21(23)26)24(32)22-5-3-4-12-28-22/h3-7,12,17,20H,2,8-11,13-16,18H2,1H3.
What are the key properties of ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 466.56 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-fluoro-1-(pyridine-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59433120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).