4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide

C30H31F2N3O3 — CID 21357393

IUPAC4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C30H31F2N3O3/c31-25-13-12-22(20-26(25)32)27-21-38-29(37)35(27)28(36)33-16-7-17-34-18-14-30(15-19-34,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,27H,7,14-19,21H2,(H,33,36)
InChIKeyXBXLTIHJBYPSMW-UHFFFAOYSA-N
MW519.59 g/mol
LogP5.64
Rot. Bonds7

About 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide

4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 21357393) has the molecular formula C30H31F2N3O3 and a molecular weight of 519.59 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID21357393
Molecular FormulaC30H31F2N3O3
Molecular Weight519.59 g/mol
Exact Mass519.23
IUPAC Name4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C30H31F2N3O3/c31-25-13-12-22(20-26(25)32)27-21-38-29(37)35(27)28(36)33-16-7-17-34-18-14-30(15-19-34,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,27H,7,14-19,21H2,(H,33,36)
InChIKeyXBXLTIHJBYPSMW-UHFFFAOYSA-N
XLogP5.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.59
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 21357393) is 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide is O=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)OCC1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is XBXLTIHJBYPSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O3/c31-25-13-12-22(20-26(25)32)27-21-38-29(37)35(27)28(36)33-16-7-17-34-18-14-30(15-19-34,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,27H,7,14-19,21H2,(H,33,36).
What are the key properties of 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 519.59 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 21357393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).