N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide

C28H34F2N4O4 — CID 10119170

About N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide

N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 10119170) has the molecular formula C28H34F2N4O4 and a molecular weight of 528.60 g/mol. Its IUPAC name is N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide
• PubChem CID: 10119170
• Molecular Formula: C28H34F2N4O4
• Molecular Weight: 528.60 g/mol
• Exact Mass: 528.25
• IUPAC Name: N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide
• SMILES: CC(=O)Nc1cccc(C2CCN(CCCNC(=O)N3C(=O)OC(C)(C)C3c3ccc(F)c(F)c3)CC2)c1
• InChI: InChI=1S/C28H34F2N4O4/c1-18(35)32-22-7-4-6-20(16-22)19-10-14-33(15-11-19)13-5-12-31-26(36)34-25(28(2,3)38-27(34)37)21-8-9-23(29)24(30)17-21/h4,6-9,16-17,19,25H,5,10-15H2,1-3H3,(H,31,36)(H,32,35)
• InChIKey: INLYDRVNXWHGAO-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.60
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The IUPAC name of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide (CID 10119170) is N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide.

What is the SMILES notation for N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The canonical SMILES for N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide is CC(=O)Nc1cccc(C2CCN(CCCNC(=O)N3C(=O)OC(C)(C)C3c3ccc(F)c(F)c3)CC2)c1.

What is the InChIKey of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The InChIKey is INLYDRVNXWHGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N4O4/c1-18(35)32-22-7-4-6-20(16-22)19-10-14-33(15-11-19)13-5-12-31-26(36)34-25(28(2,3)38-27(34)37)21-8-9-23(29)24(30)17-21/h4,6-9,16-17,19,25H,5,10-15H2,1-3H3,(H,31,36)(H,32,35).

What are the key properties of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide?

N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 528.60 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 10119170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).