4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide

C23H24FN5O3 — CID 55502231

IUPAC4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H24FN5O3/c24-17-8-6-16(7-9-17)22-27-21(32-28-22)11-10-20(30)25-19-12-14-29(15-13-19)23(31)26-18-4-2-1-3-5-18/h1-9,19H,10-15H2,(H,25,30)(H,26,31)
InChIKeyMTLNZRNWYKBYEY-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.62
Rot. Bonds6

About 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide

4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide (PubChem CID 55502231) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
PubChem CID55502231
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H24FN5O3/c24-17-8-6-16(7-9-17)22-27-21(32-28-22)11-10-20(30)25-19-12-14-29(15-13-19)23(31)26-18-4-2-1-3-5-18/h1-9,19H,10-15H2,(H,25,30)(H,26,31)
InChIKeyMTLNZRNWYKBYEY-UHFFFAOYSA-N
XLogP3.62
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
CID 39985558
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 39580767
N-(1,1-dioxothiolan-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46559142
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide
CID 172888708
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
CID 9293283
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxycyclohexyl)butanamide
CID 110890082
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide (CID 55502231) is 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is MTLNZRNWYKBYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c24-17-8-6-16(7-9-17)22-27-21(32-28-22)11-10-20(30)25-19-12-14-29(15-13-19)23(31)26-18-4-2-1-3-5-18/h1-9,19H,10-15H2,(H,25,30)(H,26,31).
What are the key properties of 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide?
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 55502231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).