3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride

C25H37ClN4O3 — CID 69434763

About 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride

3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 69434763) has the molecular formula C25H37ClN4O3 and a molecular weight of 477.05 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
• PubChem CID: 69434763
• Molecular Formula: C25H37ClN4O3
• Molecular Weight: 477.05 g/mol
• Exact Mass: 476.26
• IUPAC Name: 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
• SMILES: Cl.O=C1CC(CNC2CC2)C(=O)N1CCCN1CCN(c2ccccc2OCC2CC2)CC1
• InChI: InChI=1S/C25H36N4O3.ClH/c30-24-16-20(17-26-21-8-9-21)25(31)29(24)11-3-10-27-12-14-28(15-13-27)22-4-1-2-5-23(22)32-18-19-6-7-19;/h1-2,4-5,19-21,26H,3,6-18H2;1H
• InChIKey: SYVXALYNEGEUCC-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.05
LogP ≤ 5	2.54
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-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

The IUPAC name of 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride (CID 69434763) is 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride.

What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

The canonical SMILES for 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride is Cl.O=C1CC(CNC2CC2)C(=O)N1CCCN1CCN(c2ccccc2OCC2CC2)CC1.

What is the InChIKey of 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

The InChIKey is SYVXALYNEGEUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3.ClH/c30-24-16-20(17-26-21-8-9-21)25(31)29(24)11-3-10-27-12-14-28(15-13-27)22-4-1-2-5-23(22)32-18-19-6-7-19;/h1-2,4-5,19-21,26H,3,6-18H2;1H.

What are the key properties of 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride?

3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 477.05 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 69434763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).