3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C23H24N2O4 — CID 45248414

IUPAC3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCN(C(=O)CN2CCOC2=O)C1
InChIInChI=1S/C23H24N2O4/c26-21(16-25-13-14-29-23(25)28)24-12-4-7-20(15-24)22(27)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2
InChIKeyINMYJQCCISJAFQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.23
Rot. Bonds5

About 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 45248414) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID45248414
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCN(C(=O)CN2CCOC2=O)C1
InChIInChI=1S/C23H24N2O4/c26-21(16-25-13-14-29-23(25)28)24-12-4-7-20(15-24)22(27)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2
InChIKeyINMYJQCCISJAFQ-UHFFFAOYSA-N
XLogP3.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 45248414) is 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(c1ccc(-c2ccccc2)cc1)C1CCCN(C(=O)CN2CCOC2=O)C1.
What is the InChIKey of 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is INMYJQCCISJAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(16-25-13-14-29-23(25)28)24-12-4-7-20(15-24)22(27)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2.
What are the key properties of 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45248414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).