2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride

C27H36ClN3O2 — CID 45263954

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C27H35N3O2.ClH/c1-26(2,28)25(32)29-23(13-12-20-8-4-3-5-9-20)24(31)30-18-16-27(17-19-30)15-14-21-10-6-7-11-22(21)27;/h3-11,23H,12-19,28H2,1-2H3,(H,29,32);1H/t23-;/m1./s1
InChIKeyNVCCCMCDMXAHOJ-GNAFDRTKSA-N
MW470.06 g/mol
LogP3.77
Rot. Bonds6

About 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride

2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride (PubChem CID 45263954) has the molecular formula C27H36ClN3O2 and a molecular weight of 470.06 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride
PubChem CID45263954
Molecular FormulaC27H36ClN3O2
Molecular Weight470.06 g/mol
Exact Mass469.25
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C27H35N3O2.ClH/c1-26(2,28)25(32)29-23(13-12-20-8-4-3-5-9-20)24(31)30-18-16-27(17-19-30)15-14-21-10-6-7-11-22(21)27;/h3-11,23H,12-19,28H2,1-2H3,(H,29,32);1H/t23-;/m1./s1
InChIKeyNVCCCMCDMXAHOJ-GNAFDRTKSA-N
XLogP3.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.06
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride (CID 45263954) is 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride?
The InChIKey is NVCCCMCDMXAHOJ-GNAFDRTKSA-N. The full InChI is InChI=1S/C27H35N3O2.ClH/c1-26(2,28)25(32)29-23(13-12-20-8-4-3-5-9-20)24(31)30-18-16-27(17-19-30)15-14-21-10-6-7-11-22(21)27;/h3-11,23H,12-19,28H2,1-2H3,(H,29,32);1H/t23-;/m1./s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride?
2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride has a molecular weight of 470.06 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 45263954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).