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

C19H23N3O2 — CID 170064238

IUPACtert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESC=C1Nc2ccc(C#N)cc2C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H23N3O2/c1-13-19(15-11-14(12-20)5-6-16(15)21-13)7-9-22(10-8-19)17(23)24-18(2,3)4/h5-6,11,21H,1,7-10H2,2-4H3
InChIKeyWWUPJDXKJHHOHV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.77
Rot. Bonds

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

tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 170064238) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
PubChem CID170064238
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESC=C1Nc2ccc(C#N)cc2C12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H23N3O2/c1-13-19(15-11-14(12-20)5-6-16(15)21-13)7-9-22(10-8-19)17(23)24-18(2,3)4/h5-6,11,21H,1,7-10H2,2-4H3
InChIKeyWWUPJDXKJHHOHV-UHFFFAOYSA-N
XLogP3.77
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-ethenyl-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 170063972
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 4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carboxylate;6-(4-fluoropiperidin-4-yl)pyridine-3-carbonitrile
CID 159932461
tert-butyl 2-(4-cyanophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 66817658
tert-butyl 1-[(4-cyanophenyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 146405691
tert-butyl (3S)-6-amino-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 126455566
tert-butyl 4-[2-(3-cyano-4-fluorophenyl)ethynyl]-4-hydroxypiperidine-1-carboxylate
CID 86730455
tert-butyl 7-(4-cyanophenyl)sulfonyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 156856759
tert-butyl (1S)-1-(tert-butylsulfinylamino)-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 142433818
tert-butyl 4-(2-amino-5-cyanoanilino)piperidine-1-carboxylate
CID 118209077

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate (CID 170064238) is tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate is C=C1Nc2ccc(C#N)cc2C12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is WWUPJDXKJHHOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-19(15-11-14(12-20)5-6-16(15)21-13)7-9-22(10-8-19)17(23)24-18(2,3)4/h5-6,11,21H,1,7-10H2,2-4H3.
What are the key properties of tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 170064238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).