tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride

C18H27ClN2O2 — CID 154577396

IUPACtert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1c2ccccc2CC12CCNCC2.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-15-14-7-5-4-6-13(14)12-18(15)8-10-19-11-9-18;/h4-7,15,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyPOVIMQUDSTYTRC-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.60
Rot. Bonds1

About tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride

tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride (PubChem CID 154577396) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride
PubChem CID154577396
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Nametert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1c2ccccc2CC12CCNCC2.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-15-14-7-5-4-6-13(14)12-18(15)8-10-19-11-9-18;/h4-7,15,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyPOVIMQUDSTYTRC-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-[methyl-[4-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 44524824
tert-butyl 1-[methyl-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 44524826
tert-butyl ((1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11299644
tert-butyl 2,3-dihydro-1H-spiro(isoquinoline-4,4'-piperidine)-2-carboxylate hydrochloride
CID 49760901
tert-butyl N-((1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 50999060
tert-butyl N-(5-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
CID 69379444
tert-butyl N-[(1R)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164886191
1-Methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
CID 118739047
N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 118744718
N-[1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 118744854
Carbamic acid, N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester
CID 67312959
N-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 134789211

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride?
The IUPAC name of tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride (CID 154577396) is tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride?
The canonical SMILES for tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride is CC(C)(C)OC(=O)NC1c2ccccc2CC12CCNCC2.Cl.
What is the InChIKey of tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride?
The InChIKey is POVIMQUDSTYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-15-14-7-5-4-6-13(14)12-18(15)8-10-19-11-9-18;/h4-7,15,19H,8-12H2,1-3H3,(H,20,21);1H.
What are the key properties of tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride?
tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylcarbamate;hydrochloride is sourced from PubChem (CID 154577396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).