5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C30H26Cl2F2N4O5 — CID 177163390

About 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 177163390) has the molecular formula C30H26Cl2F2N4O5 and a molecular weight of 631.46 g/mol. Its IUPAC name is 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 177163390
• Molecular Formula: C30H26Cl2F2N4O5
• Molecular Weight: 631.46 g/mol
• Exact Mass: 630.12
• IUPAC Name: 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(C(=O)N4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H26Cl2F2N4O5/c31-21-3-1-2-18(25(21)32)16-8-11-36(12-9-16)23-10-13-37(15-30(23,33)34)27(41)17-4-5-19-20(14-17)29(43)38(28(19)42)22-6-7-24(39)35-26(22)40/h1-5,8,14,22-23H,6-7,9-13,15H2,(H,35,39,40)
• InChIKey: LKWATTFJHQDAOC-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.46
LogP ≤ 5	4.03
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 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 177163390) is 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(C(=O)N4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is LKWATTFJHQDAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2F2N4O5/c31-21-3-1-2-18(25(21)32)16-8-11-36(12-9-16)23-10-13-37(15-30(23,33)34)27(41)17-4-5-19-20(14-17)29(43)38(28(19)42)22-6-7-24(39)35-26(22)40/h1-5,8,14,22-23H,6-7,9-13,15H2,(H,35,39,40).

What are the key properties of 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 631.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(2,3-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoropiperidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 177163390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).