4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide

C25H27F3N4O4 — CID 20706360

IUPAC4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide
SMILESNC(=O)C1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C25H27F3N4O4/c26-18-5-2-15(3-6-18)16-8-12-31(13-9-16)11-1-10-30-24(34)32-21(22(23(29)33)36-25(32)35)17-4-7-19(27)20(28)14-17/h2-7,14,16,21-22H,1,8-13H2,(H2,29,33)(H,30,34)
InChIKeyZCBWIXYECYDQCM-UHFFFAOYSA-N
MW504.51 g/mol
LogP3.43
Rot. Bonds7

About 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide

4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide (PubChem CID 20706360) has the molecular formula C25H27F3N4O4 and a molecular weight of 504.51 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide
PubChem CID20706360
Molecular FormulaC25H27F3N4O4
Molecular Weight504.51 g/mol
Exact Mass504.20
IUPAC Name4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide
SMILESNC(=O)C1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C25H27F3N4O4/c26-18-5-2-15(3-6-18)16-8-12-31(13-9-16)11-1-10-30-24(34)32-21(22(23(29)33)36-25(32)35)17-4-7-19(27)20(28)14-17/h2-7,14,16,21-22H,1,8-13H2,(H2,29,33)(H,30,34)
InChIKeyZCBWIXYECYDQCM-UHFFFAOYSA-N
XLogP3.43
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide (CID 20706360) is 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide is NC(=O)C1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide?
The InChIKey is ZCBWIXYECYDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O4/c26-18-5-2-15(3-6-18)16-8-12-31(13-9-16)11-1-10-30-24(34)32-21(22(23(29)33)36-25(32)35)17-4-7-19(27)20(28)14-17/h2-7,14,16,21-22H,1,8-13H2,(H2,29,33)(H,30,34).
What are the key properties of 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide?
4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide has a molecular weight of 504.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-1,3-oxazolidine-3,5-dicarboxamide is sourced from PubChem (CID 20706360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).