tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane

C19H30N2O2 — CID 91303115

IUPACtert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCCC2(CNc3ccccc32)C1
InChIInChI=1S/C17H24N2O2.C2H6/c1-16(2,3)21-15(20)19-10-6-9-17(12-19)11-18-14-8-5-4-7-13(14)17;1-2/h4-5,7-8,18H,6,9-12H2,1-3H3;1-2H3
InChIKeyDNTYSLHVZYNWQK-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.41
Rot. Bonds

About tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane

tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane (PubChem CID 91303115) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
PubChem CID91303115
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCCC2(CNc3ccccc32)C1
InChIInChI=1S/C17H24N2O2.C2H6/c1-16(2,3)21-15(20)19-10-6-9-17(12-19)11-18-14-8-5-4-7-13(14)17;1-2/h4-5,7-8,18H,6,9-12H2,1-3H3;1-2H3
InChIKeyDNTYSLHVZYNWQK-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate
CID 86334393
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 4-iodospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxylate
CID 169434669
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278
tert-butyl (2'S,3S)-2'-carbamoylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-1'-carboxylate
CID 167078747
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
CID 139491021
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane?
The IUPAC name of tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane (CID 91303115) is tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane.
What is the SMILES notation for tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane?
The canonical SMILES for tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCCC2(CNc3ccccc32)C1.
What is the InChIKey of tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane?
The InChIKey is DNTYSLHVZYNWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2H6/c1-16(2,3)21-15(20)19-10-6-9-17(12-19)11-18-14-8-5-4-7-13(14)17;1-2/h4-5,7-8,18H,6,9-12H2,1-3H3;1-2H3.
What are the key properties of tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane?
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane has a molecular weight of 318.46 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane is sourced from PubChem (CID 91303115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).