tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate

C21H30N2O3 — CID 59655954

IUPACtert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)C21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H30N2O3/c1-14(2)23-17-13-15(3)7-8-16(17)21(18(23)24)9-11-22(12-10-21)19(25)26-20(4,5)6/h7-8,13-14H,9-12H2,1-6H3
InChIKeyMBAMETRORQKLSY-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.02
Rot. Bonds1

About tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate

tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 59655954) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate
PubChem CID59655954
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nametert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)C21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H30N2O3/c1-14(2)23-17-13-15(3)7-8-16(17)21(18(23)24)9-11-22(12-10-21)19(25)26-20(4,5)6/h7-8,13-14H,9-12H2,1-6H3
InChIKeyMBAMETRORQKLSY-UHFFFAOYSA-N
XLogP4.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11595437
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1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;ethane
CID 176997372
tert-butyl 5-ethyl-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate;tert-butyl 6-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate;molecular hydrogen;propane
CID 162722750
tert-butyl 4-(4-bromo-2-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 18379530
tert-butyl 4-[4-(2,5-dimethylpyrrol-1-yl)-2-methylphenyl]-4-hydroxypiperidine-1-carboxylate
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tert-butyl 4-(2-fluoro-5-methylbenzoyl)-4-hydroxypiperidine-1-carboxylate
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CID 149113192
tert-butyl 4-methyl-4-[4-methyl-2-(trifluoromethylsulfonyloxymethyl)phenyl]piperidine-1-carboxylate;ethane
CID 143445806
tert-butyl (3R)-6-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183683
tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 138594237
tert-butyl 1-[(4-cyanophenyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate (CID 59655954) is tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate is Cc1ccc2c(c1)N(C(C)C)C(=O)C21CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is MBAMETRORQKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)23-17-13-15(3)7-8-16(17)21(18(23)24)9-11-22(12-10-21)19(25)26-20(4,5)6/h7-8,13-14H,9-12H2,1-6H3.
What are the key properties of tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-2-oxo-1-propan-2-ylspiro[indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 59655954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).