3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride

C23H34ClFN4O3 — CID 69439841

About 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride

3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride (PubChem CID 69439841) has the molecular formula C23H34ClFN4O3 and a molecular weight of 469.00 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride
• PubChem CID: 69439841
• Molecular Formula: C23H34ClFN4O3
• Molecular Weight: 469.00 g/mol
• Exact Mass: 468.23
• IUPAC Name: 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride
• SMILES: COc1ccc(F)cc1N1CCN(CCCN2C(=O)C(C)C(NCC3CC3)C2=O)CC1.Cl
• InChI: InChI=1S/C23H33FN4O3.ClH/c1-16-21(25-15-17-4-5-17)23(30)28(22(16)29)9-3-8-26-10-12-27(13-11-26)19-14-18(24)6-7-20(19)31-2;/h6-7,14,16-17,21,25H,3-5,8-13,15H2,1-2H3;1H
• InChIKey: LBQHIEHCQYRMDR-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.00
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride?

The IUPAC name of 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride (CID 69439841) is 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride.

What is the SMILES notation for 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride?

The canonical SMILES for 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride is COc1ccc(F)cc1N1CCN(CCCN2C(=O)C(C)C(NCC3CC3)C2=O)CC1.Cl.

What is the InChIKey of 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride?

The InChIKey is LBQHIEHCQYRMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O3.ClH/c1-16-21(25-15-17-4-5-17)23(30)28(22(16)29)9-3-8-26-10-12-27(13-11-26)19-14-18(24)6-7-20(19)31-2;/h6-7,14,16-17,21,25H,3-5,8-13,15H2,1-2H3;1H.

What are the key properties of 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride?

3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride has a molecular weight of 469.00 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 69439841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).