1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide

C33H40F4N4O5 — CID 162437224

About 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide

1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide (PubChem CID 162437224) has the molecular formula C33H40F4N4O5 and a molecular weight of 648.70 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide.

Molecular Properties

• Compound Name: 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide
• PubChem CID: 162437224
• Molecular Formula: C33H40F4N4O5
• Molecular Weight: 648.70 g/mol
• Exact Mass: 648.29
• IUPAC Name: 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide
• SMILES: CNC=O.COc1cc(C2CCNCC2)nc(N2C(=O)CC(c3c(F)cc(OC)cc3F)C2C)c1.Cc1ccc(OC(F)F)cc1
• InChI: InChI=1S/C23H27F2N3O3.C8H8F2O.C2H5NO/c1-13-17(23-18(24)8-15(30-2)9-19(23)25)12-22(29)28(13)21-11-16(31-3)10-20(27-21)14-4-6-26-7-5-14;1-6-2-4-7(5-3-6)11-8(9)10;1-3-2-4/h8-11,13-14,17,26H,4-7,12H2,1-3H3;2-5,8H,1H3;2H,1H3,(H,3,4)
• InChIKey: SFBVYESCXSFKMJ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.70
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide?

The IUPAC name of 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide (CID 162437224) is 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide.

What is the SMILES notation for 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide?

The canonical SMILES for 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide is CNC=O.COc1cc(C2CCNCC2)nc(N2C(=O)CC(c3c(F)cc(OC)cc3F)C2C)c1.Cc1ccc(OC(F)F)cc1.

What is the InChIKey of 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide?

The InChIKey is SFBVYESCXSFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3.C8H8F2O.C2H5NO/c1-13-17(23-18(24)8-15(30-2)9-19(23)25)12-22(29)28(13)21-11-16(31-3)10-20(27-21)14-4-6-26-7-5-14;1-6-2-4-7(5-3-6)11-8(9)10;1-3-2-4/h8-11,13-14,17,26H,4-7,12H2,1-3H3;2-5,8H,1H3;2H,1H3,(H,3,4).

What are the key properties of 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide?

1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide has a molecular weight of 648.70 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethoxy)-4-methylbenzene;4-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-piperidin-4-yl-2-pyridinyl)-5-methylpyrrolidin-2-one;N-methylformamide is sourced from PubChem (CID 162437224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).