4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

C23H25N3O4 — CID 86903788

IUPAC4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=C(c1ccccc1)C1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1
InChIInChI=1S/C23H25N3O4/c27-20(16-26-22(24-30-23(26)29)19-9-5-2-6-10-19)15-25-13-11-18(12-14-25)21(28)17-7-3-1-4-8-17/h1-10,18,20,27H,11-16H2
InChIKeyQARFVQKQWVJBAT-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.46
Rot. Bonds7

About 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 86903788) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID86903788
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESO=C(c1ccccc1)C1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1
InChIInChI=1S/C23H25N3O4/c27-20(16-26-22(24-30-23(26)29)19-9-5-2-6-10-19)15-25-13-11-18(12-14-25)21(28)17-7-3-1-4-8-17/h1-10,18,20,27H,11-16H2
InChIKeyQARFVQKQWVJBAT-UHFFFAOYSA-N
XLogP2.46
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (CID 86903788) is 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is O=C(c1ccccc1)C1CCN(CC(O)Cn2c(-c3ccccc3)noc2=O)CC1.
What is the InChIKey of 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is QARFVQKQWVJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-20(16-26-22(24-30-23(26)29)19-9-5-2-6-10-19)15-25-13-11-18(12-14-25)21(28)17-7-3-1-4-8-17/h1-10,18,20,27H,11-16H2.
What are the key properties of 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 407.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 86903788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).