benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate

C21H24N2O2 — CID 10711919

IUPACbenzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCN1CCC2(CC1)CN(C(=O)OCc1ccccc1)c1ccccc12
InChIInChI=1S/C21H24N2O2/c1-22-13-11-21(12-14-22)16-23(19-10-6-5-9-18(19)21)20(24)25-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyKBHKMLKADPEJSU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds2

About benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate

benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 10711919) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID10711919
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Namebenzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCN1CCC2(CC1)CN(C(=O)OCc1ccccc1)c1ccccc12
InChIInChI=1S/C21H24N2O2/c1-22-13-11-21(12-14-22)16-23(19-10-6-5-9-18(19)21)20(24)25-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyKBHKMLKADPEJSU-UHFFFAOYSA-N
XLogP3.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 10711919) is benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate is CN1CCC2(CC1)CN(C(=O)OCc1ccccc1)c1ccccc12.
What is the InChIKey of benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is KBHKMLKADPEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22-13-11-21(12-14-22)16-23(19-10-6-5-9-18(19)21)20(24)25-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 10711919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).