tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen

C26H38N2O2 — CID 161257247

IUPACtert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen
SMILESC[C@H](N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C26H34N2O2.2H2/c1-19(20-10-6-5-7-11-20)27-23-18-26(22-13-9-8-12-21(22)23)14-16-28(17-15-26)24(29)30-25(2,3)4;;/h5-13,19,23,27H,14-18H2,1-4H3;2*1H/t19-,23-;;/m0../s1
InChIKeyVCBWBOSFXOUQCC-HXTKCBNGSA-N
MW410.60 g/mol
LogP6.24
Rot. Bonds3

About tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen

tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen (PubChem CID 161257247) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen
PubChem CID161257247
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Nametert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen
SMILESC[C@H](N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C26H34N2O2.2H2/c1-19(20-10-6-5-7-11-20)27-23-18-26(22-13-9-8-12-21(22)23)14-16-28(17-15-26)24(29)30-25(2,3)4;;/h5-13,19,23,27H,14-18H2,1-4H3;2*1H/t19-,23-;;/m0../s1
InChIKeyVCBWBOSFXOUQCC-HXTKCBNGSA-N
XLogP6.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen with MolForge

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Related Compounds

tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433503
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 2-oxo-1-(1-phenylethenyl)spiro[3,3a,4,9b-tetrahydrobenzo[g]indole-5,4'-piperidine]-1'-carboxylate
CID 67304357
tert-butyl 1-[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 68582723
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl (4R)-3,3-difluoro-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 122445238
tert-butyl 3,3-difluoro-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 145134217
tert-butyl (4R)-3,3-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 86707892
1-O'-tert-butyl 2-O-methyl spiro[2,3-dihydrochromene-4,4'-piperidine]-1',2-dicarboxylate
CID 131638046

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen?
The IUPAC name of tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen (CID 161257247) is tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen.
What is the SMILES notation for tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen?
The canonical SMILES for tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen is C[C@H](N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)c1ccccc1.[H][H].[H][H].
What is the InChIKey of tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen?
The InChIKey is VCBWBOSFXOUQCC-HXTKCBNGSA-N. The full InChI is InChI=1S/C26H34N2O2.2H2/c1-19(20-10-6-5-7-11-20)27-23-18-26(22-13-9-8-12-21(22)23)14-16-28(17-15-26)24(29)30-25(2,3)4;;/h5-13,19,23,27H,14-18H2,1-4H3;2*1H/t19-,23-;;/m0../s1.
What are the key properties of tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen?
tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen has a molecular weight of 410.60 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen is sourced from PubChem (CID 161257247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).