2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride

C28H38ClN3O3 — CID 45262712

About 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 45262712) has the molecular formula C28H38ClN3O3 and a molecular weight of 500.08 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 45262712
• Molecular Formula: C28H38ClN3O3
• Molecular Weight: 500.08 g/mol
• Exact Mass: 499.26
• IUPAC Name: 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(O)c1ccccc12.Cl
• InChI: InChI=1S/C28H37N3O3.ClH/c1-27(2,29)26(34)30-23(14-8-11-20-9-4-3-5-10-20)25(33)31-17-15-28(16-18-31)19-24(32)21-12-6-7-13-22(21)28;/h3-7,9-10,12-13,23-24,32H,8,11,14-19,29H2,1-2H3,(H,30,34);1H/t23-,24?;/m1./s1
• InChIKey: OACXPAHSQSWCFQ-MTJIYFAESA-N
• XLogP: 3.65
• TPSA: 95.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.08
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride (CID 45262712) is 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(O)c1ccccc12.Cl.

What is the InChIKey of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is OACXPAHSQSWCFQ-MTJIYFAESA-N. The full InChI is InChI=1S/C28H37N3O3.ClH/c1-27(2,29)26(34)30-23(14-8-11-20-9-4-3-5-10-20)25(33)31-17-15-28(16-18-31)19-24(32)21-12-6-7-13-22(21)28;/h3-7,9-10,12-13,23-24,32H,8,11,14-19,29H2,1-2H3,(H,30,34);1H/t23-,24?;/m1./s1.

What are the key properties of 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride?

2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 500.08 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-1-(1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 45262712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).