tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate

C20H28N2O2 — CID 118202663

IUPACtert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNc1cc3c(cc12)CCC3
InChIInChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-9-7-20(8-10-22)13-21-17-12-15-6-4-5-14(15)11-16(17)20/h11-12,21H,4-10,13H2,1-3H3
InChIKeyQUQZEPLUKFVIOW-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.87
Rot. Bonds

About tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate

tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 118202663) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate
PubChem CID118202663
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNc1cc3c(cc12)CCC3
InChIInChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-9-7-20(8-10-22)13-21-17-12-15-6-4-5-14(15)11-16(17)20/h11-12,21H,4-10,13H2,1-3H3
InChIKeyQUQZEPLUKFVIOW-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

Analyze tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl spiro[3,6,7,8-tetrahydro-2H-cyclopenta[e]indole-1,4'-piperidine]-1'-carboxylate
CID 118202662
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 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 1-[(2-chloro-4-pyridinyl)carbamoyl]spiro[2,5,6,7-tetrahydrocyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate
CID 122602645
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 7-bromo-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 53397001
tert-butyl 1,2,3,6,8,9-hexahydropyrido[4,3-g][1,4]benzoxazine-7-carboxylate
CID 154336197
tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate
CID 162385109
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 19381592
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid
CID 67108071

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate (CID 118202663) is tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cc3c(cc12)CCC3.
What is the InChIKey of tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is QUQZEPLUKFVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)24-18(23)22-9-7-20(8-10-22)13-21-17-12-15-6-4-5-14(15)11-16(17)20/h11-12,21H,4-10,13H2,1-3H3.
What are the key properties of tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-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[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 118202663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).