tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate

C19H22N2O2 — CID 70344591

IUPACtert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(C#N)c3ccccc32)CC1
InChIInChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)21-10-8-19(9-11-21)12-14(13-20)15-6-4-5-7-16(15)19/h4-7,12H,8-11H2,1-3H3
InChIKeyMSSWPXVZPAHDSH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.88
Rot. Bonds

About tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate

tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate (PubChem CID 70344591) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate
PubChem CID70344591
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(C#N)c3ccccc32)CC1
InChIInChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)21-10-8-19(9-11-21)12-14(13-20)15-6-4-5-7-16(15)19/h4-7,12H,8-11H2,1-3H3
InChIKeyMSSWPXVZPAHDSH-UHFFFAOYSA-N
XLogP3.88
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-trimethylstannylspiro[indene-1,4'-piperidine]-1'-carboxylate
CID 70343549
tert-butyl 3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-carboxylate
CID 59600632
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl 10-cyano-9-oxo-3-azaspiro[5.5]undec-10-ene-3-carboxylate
CID 162442039
tert-butyl 4-(4-cyanophenyl)spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 59674488
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate (CID 70344591) is tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=C(C#N)c3ccccc32)CC1.
What is the InChIKey of tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is MSSWPXVZPAHDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)21-10-8-19(9-11-21)12-14(13-20)15-6-4-5-7-16(15)19/h4-7,12H,8-11H2,1-3H3.
What are the key properties of tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate?
tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyanospiro[indene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 70344591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).