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

C32H45ClN4O3 — CID 23367839

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

2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 23367839) has the molecular formula C32H45ClN4O3 and a molecular weight of 569.19 g/mol. Its IUPAC name is 2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 23367839
• Molecular Formula: C32H45ClN4O3
• Molecular Weight: 569.19 g/mol
• Exact Mass: 568.32
• IUPAC Name: 2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CCNC(=O)CC1CC2(CCN(C(=O)C(CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21.Cl
• InChI: InChI=1S/C32H44N4O3.ClH/c1-4-34-28(37)21-24-22-32(26-15-9-8-14-25(24)26)17-19-36(20-18-32)29(38)27(35-30(39)31(2,3)33)16-10-13-23-11-6-5-7-12-23;/h5-9,11-12,14-15,24,27H,4,10,13,16-22,33H2,1-3H3,(H,34,37)(H,35,39);1H
• InChIKey: WMZXUJIBMJEGRG-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.19
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride (CID 23367839) is 2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[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-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride is CCNC(=O)CC1CC2(CCN(C(=O)C(CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21.Cl.

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

The InChIKey is WMZXUJIBMJEGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O3.ClH/c1-4-34-28(37)21-24-22-32(26-15-9-8-14-25(24)26)17-19-36(20-18-32)29(38)27(35-30(39)31(2,3)33)16-10-13-23-11-6-5-7-12-23;/h5-9,11-12,14-15,24,27H,4,10,13,16-22,33H2,1-3H3,(H,34,37)(H,35,39);1H.

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

2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 569.19 g/mol, XLogP of 4.23, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 23367839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).