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

C19H25FN2O2 — CID 97452558

IUPACcyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCOCCN1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12
InChIInChI=1S/C19H25FN2O2/c1-24-11-10-21-8-6-19(7-9-21)13-22(18(23)14-2-3-14)17-5-4-15(20)12-16(17)19/h4-5,12,14H,2-3,6-11,13H2,1H3
InChIKeyYKMGBTFFYZVLPY-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.56
Rot. Bonds4

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

cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (PubChem CID 97452558) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
PubChem CID97452558
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Namecyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
SMILESCOCCN1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12
InChIInChI=1S/C19H25FN2O2/c1-24-11-10-21-8-6-19(7-9-21)13-22(18(23)14-2-3-14)17-5-4-15(20)12-16(17)19/h4-5,12,14H,2-3,6-11,13H2,1H3
InChIKeyYKMGBTFFYZVLPY-UHFFFAOYSA-N
XLogP2.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The IUPAC name of cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone (CID 97452558) is cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The canonical SMILES for cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is COCCN1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12.
What is the InChIKey of cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
The InChIKey is YKMGBTFFYZVLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-24-11-10-21-8-6-19(7-9-21)13-22(18(23)14-2-3-14)17-5-4-15(20)12-16(17)19/h4-5,12,14H,2-3,6-11,13H2,1H3.
What are the key properties of cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone?
cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-fluoro-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone is sourced from PubChem (CID 97452558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).