tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate

C20H26N2O2 — CID 170063972

IUPACtert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESC=Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=C)N2
InChIInChI=1S/C20H26N2O2/c1-6-15-7-8-17-16(13-15)20(14(2)21-17)9-11-22(12-10-20)18(23)24-19(3,4)5/h6-8,13,21H,1-2,9-12H2,3-5H3
InChIKeyDQZBDOUCENSMGK-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.54
Rot. Bonds1

About tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate

tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 170063972) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
PubChem CID170063972
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nametert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESC=Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=C)N2
InChIInChI=1S/C20H26N2O2/c1-6-15-7-8-17-16(13-15)20(14(2)21-17)9-11-22(12-10-20)18(23)24-19(3,4)5/h6-8,13,21H,1-2,9-12H2,3-5H3
InChIKeyDQZBDOUCENSMGK-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 170064238
tert-butyl 5-(difluoromethyl)-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 168998443
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
tert-butyl (3S)-3-amino-3-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 122687772
tert-butyl (3S)-6-amino-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 126455566
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
CID 25133272
tert-butyl (3R)-6-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183683
tert-butyl 4-(4-formylphenyl)-4-isocyanopiperidine-1-carboxylate
CID 140729112
tert-butyl 4-(4-bromo-2-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 18379530
tert-butyl 4-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylpiperidine-1-carboxylate
CID 154713293
tert-butyl 4-(3-formylphenyl)piperazine-1-carboxylate
CID 53402759

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate (CID 170063972) is tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate is C=Cc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=C)N2.
What is the InChIKey of tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is DQZBDOUCENSMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-6-15-7-8-17-16(13-15)20(14(2)21-17)9-11-22(12-10-20)18(23)24-19(3,4)5/h6-8,13,21H,1-2,9-12H2,3-5H3.
What are the key properties of tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 170063972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).