(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride

C32H45ClN4O4 — CID 45263514

About (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride

(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride (PubChem CID 45263514) has the molecular formula C32H45ClN4O4 and a molecular weight of 585.19 g/mol. Its IUPAC name is (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
• PubChem CID: 45263514
• Molecular Formula: C32H45ClN4O4
• Molecular Weight: 585.19 g/mol
• Exact Mass: 584.31
• IUPAC Name: (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
• SMILES: CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H](C(=O)NCCCO)c1ccccc12.Cl
• InChI: InChI=1S/C32H44N4O4.ClH/c1-31(2,33)30(40)35-27(15-8-12-23-10-4-3-5-11-23)29(39)36-19-16-32(17-20-36)22-25(28(38)34-18-9-21-37)24-13-6-7-14-26(24)32;/h3-7,10-11,13-14,25,27,37H,8-9,12,15-22,33H2,1-2H3,(H,34,38)(H,35,40);1H/t25-,27-;/m1./s1
• InChIKey: XCFSKYJRLGUYSN-MKOQQXGASA-N
• XLogP: 3.20
• TPSA: 124.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.19
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?

The IUPAC name of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride (CID 45263514) is (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride.

What is the SMILES notation for (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?

The canonical SMILES for (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride is CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H](C(=O)NCCCO)c1ccccc12.Cl.

What is the InChIKey of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?

The InChIKey is XCFSKYJRLGUYSN-MKOQQXGASA-N. The full InChI is InChI=1S/C32H44N4O4.ClH/c1-31(2,33)30(40)35-27(15-8-12-23-10-4-3-5-11-23)29(39)36-19-16-32(17-20-36)22-25(28(38)34-18-9-21-37)24-13-6-7-14-26(24)32;/h3-7,10-11,13-14,25,27,37H,8-9,12,15-22,33H2,1-2H3,(H,34,38)(H,35,40);1H/t25-,27-;/m1./s1.

What are the key properties of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?

(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride has a molecular weight of 585.19 g/mol, XLogP of 3.20, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(3-hydroxypropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride is sourced from PubChem (CID 45263514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).