but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione

C32H34N4O6 — CID 70634417

About but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione

but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 70634417) has the molecular formula C32H34N4O6 and a molecular weight of 570.65 g/mol. Its IUPAC name is but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
• PubChem CID: 70634417
• Molecular Formula: C32H34N4O6
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.25
• IUPAC Name: but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
• SMILES: O=C(O)C=CC(=O)O.O=C1NC(c2ccccc2)(c2cccnc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1
• InChI: InChI=1S/C28H30N4O2.C4H4O4/c33-26-28(24-11-5-2-6-12-24,25-13-7-16-29-21-25)30-27(34)32(26)18-8-17-31-19-14-23(15-20-31)22-9-3-1-4-10-22;5-3(6)1-2-4(7)8/h1-7,9-13,16,21,23H,8,14-15,17-20H2,(H,30,34);1-2H,(H,5,6)(H,7,8)
• InChIKey: OGWICGFMYNMQID-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 140.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?

The IUPAC name of but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 70634417) is but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

What is the SMILES notation for but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?

The canonical SMILES for but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione is O=C(O)C=CC(=O)O.O=C1NC(c2ccccc2)(c2cccnc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1.

What is the InChIKey of but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?

The InChIKey is OGWICGFMYNMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.C4H4O4/c33-26-28(24-11-5-2-6-12-24,25-13-7-16-29-21-25)30-27(34)32(26)18-8-17-31-19-14-23(15-20-31)22-9-3-1-4-10-22;5-3(6)1-2-4(7)8/h1-7,9-13,16,21,23H,8,14-15,17-20H2,(H,30,34);1-2H,(H,5,6)(H,7,8).

What are the key properties of but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione?

but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 570.65 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 70634417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).