benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

C20H22N2O2 — CID 10914256

IUPACbenzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C20H22N2O2/c23-19(24-14-16-6-2-1-3-7-16)22-12-10-20(11-13-22)15-21-18-9-5-4-8-17(18)20/h1-9,21H,10-15H2
InChIKeyXJUPGFXGJQIYQG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.78
Rot. Bonds2

About benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (PubChem CID 10914256) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
PubChem CID10914256
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namebenzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C20H22N2O2/c23-19(24-14-16-6-2-1-3-7-16)22-12-10-20(11-13-22)15-21-18-9-5-4-8-17(18)20/h1-9,21H,10-15H2
InChIKeyXJUPGFXGJQIYQG-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (CID 10914256) is benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is XJUPGFXGJQIYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(24-14-16-6-2-1-3-7-16)22-12-10-20(11-13-22)15-21-18-9-5-4-8-17(18)20/h1-9,21H,10-15H2.
What are the key properties of benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 10914256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).