dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one

C51H56Cl2F2N6O6 — CID 158230054

About dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one

dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one (PubChem CID 158230054) has the molecular formula C51H56Cl2F2N6O6 and a molecular weight of 957.95 g/mol. Its IUPAC name is dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one.

Molecular Properties

• Compound Name: dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one
• PubChem CID: 158230054
• Molecular Formula: C51H56Cl2F2N6O6
• Molecular Weight: 957.95 g/mol
• Exact Mass: 956.36
• IUPAC Name: dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one
• SMILES: COc1cc(C(=O)C2CCCN(C(C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1.COc1cc(C(O)C2CCCN(C(C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1.ClCCl
• InChI: InChI=1S/C25H28FN3O3.C25H26FN3O3.CH2Cl2/c2*1-16-14-28(15-27-16)22-11-8-19(13-23(22)32-3)24(30)21-5-4-12-29(25(21)31)17(2)18-6-9-20(26)10-7-18;2-1-3/h6-11,13-15,17,21,24,30H,4-5,12H2,1-3H3;6-11,13-15,17,21H,4-5,12H2,1-3H3;1H2
• InChIKey: GEGQTEKCHVZMBK-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 132.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.95
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one?

The IUPAC name of dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one (CID 158230054) is dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one.

What is the SMILES notation for dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one?

The canonical SMILES for dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one is COc1cc(C(=O)C2CCCN(C(C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1.COc1cc(C(O)C2CCCN(C(C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1.ClCCl.

What is the InChIKey of dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one?

The InChIKey is GEGQTEKCHVZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3.C25H26FN3O3.CH2Cl2/c2*1-16-14-28(15-27-16)22-11-8-19(13-23(22)32-3)24(30)21-5-4-12-29(25(21)31)17(2)18-6-9-20(26)10-7-18;2-1-3/h6-11,13-15,17,21,24,30H,4-5,12H2,1-3H3;6-11,13-15,17,21H,4-5,12H2,1-3H3;1H2.

What are the key properties of dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one?

dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one has a molecular weight of 957.95 g/mol, XLogP of 10.29, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;1-[1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-2-one;1-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]piperidin-2-one is sourced from PubChem (CID 158230054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).