2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C23H33F2N3O3 — CID 59433336

IUPAC2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCOCCN1CC2(CCN(C3CCN(C(=O)OCCF)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H33F2N3O3/c1-30-15-13-28-17-23(20-16-18(25)2-3-21(20)28)6-11-26(12-7-23)19-4-9-27(10-5-19)22(29)31-14-8-24/h2-3,16,19H,4-15,17H2,1H3
InChIKeyBCOXXPLOQAUFTL-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.20
Rot. Bonds6

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

2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 59433336) has the molecular formula C23H33F2N3O3 and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID59433336
Molecular FormulaC23H33F2N3O3
Molecular Weight437.53 g/mol
Exact Mass437.25
IUPAC Name2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCOCCN1CC2(CCN(C3CCN(C(=O)OCCF)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H33F2N3O3/c1-30-15-13-28-17-23(20-16-18(25)2-3-21(20)28)6-11-26(12-7-23)19-4-9-27(10-5-19)22(29)31-14-8-24/h2-3,16,19H,4-15,17H2,1H3
InChIKeyBCOXXPLOQAUFTL-UHFFFAOYSA-N
XLogP3.20
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 59433336) is 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is COCCN1CC2(CCN(C3CCN(C(=O)OCCF)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is BCOXXPLOQAUFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F2N3O3/c1-30-15-13-28-17-23(20-16-18(25)2-3-21(20)28)6-11-26(12-7-23)19-4-9-27(10-5-19)22(29)31-14-8-24/h2-3,16,19H,4-15,17H2,1H3.
What are the key properties of 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 437.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59433336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).