tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate

C20H28N2O2 — CID 118202662

IUPACtert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc3c(c12)CCC3
InChIInChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-11-9-20(10-12-22)13-21-16-8-7-14-5-4-6-15(14)17(16)20/h7-8,21H,4-6,9-13H2,1-3H3
InChIKeyADAIGVQAUUOUDO-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.87
Rot. Bonds

About tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate

tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate (PubChem CID 118202662) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate
PubChem CID118202662
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc3c(c12)CCC3
InChIInChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-11-9-20(10-12-22)13-21-16-8-7-14-5-4-6-15(14)17(16)20/h7-8,21H,4-6,9-13H2,1-3H3
InChIKeyADAIGVQAUUOUDO-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate
CID 118202663
tert-butyl 7-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate
CID 66570818
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-iodospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxylate
CID 169434669
tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 131664474
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl 5-methylsulfanyl-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142433829
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl 1-[(2-chloro-4-pyridinyl)carbamoyl]spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate
CID 122602645

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate (CID 118202662) is tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc3c(c12)CCC3.
What is the InChIKey of tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate?
The InChIKey is ADAIGVQAUUOUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-11-9-20(10-12-22)13-21-16-8-7-14-5-4-6-15(14)17(16)20/h7-8,21H,4-6,9-13H2,1-3H3.
What are the key properties of tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate?
tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate has a molecular weight of 328.46 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 118202662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).