3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide

C24H28N4O4 — CID 155548498

IUPAC3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide
SMILESO=C(CCc1ccc(OCc2nc(C3CCN(Cc4ccccc4)CC3)no2)cc1)NO
InChIInChI=1S/C24H28N4O4/c29-22(26-30)11-8-18-6-9-21(10-7-18)31-17-23-25-24(27-32-23)20-12-14-28(15-13-20)16-19-4-2-1-3-5-19/h1-7,9-10,20,30H,8,11-17H2,(H,26,29)
InChIKeyNIYHYPGUSWQATF-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.47
Rot. Bonds9

About 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide

3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide (PubChem CID 155548498) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide
PubChem CID155548498
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide
SMILESO=C(CCc1ccc(OCc2nc(C3CCN(Cc4ccccc4)CC3)no2)cc1)NO
InChIInChI=1S/C24H28N4O4/c29-22(26-30)11-8-18-6-9-21(10-7-18)31-17-23-25-24(27-32-23)20-12-14-28(15-13-20)16-19-4-2-1-3-5-19/h1-7,9-10,20,30H,8,11-17H2,(H,26,29)
InChIKeyNIYHYPGUSWQATF-UHFFFAOYSA-N
XLogP3.47
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide?
The IUPAC name of 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide (CID 155548498) is 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide?
The canonical SMILES for 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide is O=C(CCc1ccc(OCc2nc(C3CCN(Cc4ccccc4)CC3)no2)cc1)NO.
What is the InChIKey of 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide?
The InChIKey is NIYHYPGUSWQATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-22(26-30)11-8-18-6-9-21(10-7-18)31-17-23-25-24(27-32-23)20-12-14-28(15-13-20)16-19-4-2-1-3-5-19/h1-7,9-10,20,30H,8,11-17H2,(H,26,29).
What are the key properties of 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide?
3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide has a molecular weight of 436.51 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide is sourced from PubChem (CID 155548498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).