2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride

C28H38ClN3O2 — CID 45264075

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C28H37N3O2.ClH/c1-27(2,29)26(33)30-24(14-8-11-21-9-4-3-5-10-21)25(32)31-19-17-28(18-20-31)16-15-22-12-6-7-13-23(22)28;/h3-7,9-10,12-13,24H,8,11,14-20,29H2,1-2H3,(H,30,33);1H/t24-;/m1./s1
InChIKeyFZIWVQMHLNDEGI-GJFSDDNBSA-N
MW484.08 g/mol
LogP4.16
Rot. Bonds7

About 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride

2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride (PubChem CID 45264075) has the molecular formula C28H38ClN3O2 and a molecular weight of 484.08 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride
PubChem CID45264075
Molecular FormulaC28H38ClN3O2
Molecular Weight484.08 g/mol
Exact Mass483.27
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C28H37N3O2.ClH/c1-27(2,29)26(33)30-24(14-8-11-21-9-4-3-5-10-21)25(32)31-19-17-28(18-20-31)16-15-22-12-6-7-13-23(22)28;/h3-7,9-10,12-13,24H,8,11,14-20,29H2,1-2H3,(H,30,33);1H/t24-;/m1./s1
InChIKeyFZIWVQMHLNDEGI-GJFSDDNBSA-N
XLogP4.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.08
LogP ≤ 54.16
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-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride (CID 45264075) is 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride?
The InChIKey is FZIWVQMHLNDEGI-GJFSDDNBSA-N. The full InChI is InChI=1S/C28H37N3O2.ClH/c1-27(2,29)26(33)30-24(14-8-11-21-9-4-3-5-10-21)25(32)31-19-17-28(18-20-31)16-15-22-12-6-7-13-23(22)28;/h3-7,9-10,12-13,24H,8,11,14-20,29H2,1-2H3,(H,30,33);1H/t24-;/m1./s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride?
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride has a molecular weight of 484.08 g/mol, XLogP of 4.16, 7 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-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 45264075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).