1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

C25H25FN4O3 — CID 50767376

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1F
InChIInChI=1S/C25H25FN4O3/c1-15-2-9-20(14-21(15)26)27-23(31)17-10-12-30(13-11-17)25(32)19-7-3-16(4-8-19)22-28-24(33-29-22)18-5-6-18/h2-4,7-9,14,17-18H,5-6,10-13H2,1H3,(H,27,31)
InChIKeyOMDSPJLHYPJFBF-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.55
Rot. Bonds5

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 50767376) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID50767376
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1F
InChIInChI=1S/C25H25FN4O3/c1-15-2-9-20(14-21(15)26)27-23(31)17-10-12-30(13-11-17)25(32)19-7-3-16(4-8-19)22-28-24(33-29-22)18-5-6-18/h2-4,7-9,14,17-18H,5-6,10-13H2,1H3,(H,27,31)
InChIKeyOMDSPJLHYPJFBF-UHFFFAOYSA-N
XLogP4.55
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 50780460
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369
4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
CID 53131838
N-[4-[5-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130405
N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130383
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46292734
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767410
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 50808351
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243
N-[4-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 50925853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (CID 50767376) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1F.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is OMDSPJLHYPJFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-15-2-9-20(14-21(15)26)27-23(31)17-10-12-30(13-11-17)25(32)19-7-3-16(4-8-19)22-28-24(33-29-22)18-5-6-18/h2-4,7-9,14,17-18H,5-6,10-13H2,1H3,(H,27,31).
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50767376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).