tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate

C18H23ClN2O3 — CID 138594237

IUPACtert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCN1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)c2c(Cl)cccc21
InChIInChI=1S/C18H23ClN2O3/c1-17(2,3)24-16(23)21-10-8-18(9-11-21)14-12(19)6-5-7-13(14)20(4)15(18)22/h5-7H,8-11H2,1-4H3
InChIKeyCVGRJOAUTBASFV-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.59
Rot. Bonds

About tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate

tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 138594237) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
PubChem CID138594237
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Nametert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCN1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)c2c(Cl)cccc21
InChIInChI=1S/C18H23ClN2O3/c1-17(2,3)24-16(23)21-10-8-18(9-11-21)14-12(19)6-5-7-13(14)20(4)15(18)22/h5-7H,8-11H2,1-4H3
InChIKeyCVGRJOAUTBASFV-UHFFFAOYSA-N
XLogP3.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate
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CID 67112342
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate (CID 138594237) is tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate is CN1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)c2c(Cl)cccc21.
What is the InChIKey of tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is CVGRJOAUTBASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-17(2,3)24-16(23)21-10-8-18(9-11-21)14-12(19)6-5-7-13(14)20(4)15(18)22/h5-7H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 350.85 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 138594237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).