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

C25H27FN4O4 — CID 55924257

IUPAC1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)CC1
InChIInChI=1S/C25H27FN4O4/c1-16-15-18(7-8-19(16)26)24-28-22(34-29-24)9-10-23(31)30-13-11-17(12-14-30)25(32)27-20-5-3-4-6-21(20)33-2/h3-8,15,17H,9-14H2,1-2H3,(H,27,32)
InChIKeyFIBLHWQISUCFFQ-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.00
Rot. Bonds7

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

1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 55924257) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID55924257
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)CC1
InChIInChI=1S/C25H27FN4O4/c1-16-15-18(7-8-19(16)26)24-28-22(34-29-24)9-10-23(31)30-13-11-17(12-14-30)25(32)27-20-5-3-4-6-21(20)33-2/h3-8,15,17H,9-14H2,1-2H3,(H,27,32)
InChIKeyFIBLHWQISUCFFQ-UHFFFAOYSA-N
XLogP4.00
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55929702
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylazetidin-1-yl)propan-1-one
CID 100727819
1-[(3R)-3-aminopyrrolidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 119412882
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 119645582
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 5130333
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 55923629
1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356350
1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 119469217
1-(4-aminopiperidin-1-yl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 119374155
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55818394
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 55924257) is 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)CC1.
What is the InChIKey of 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is FIBLHWQISUCFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-16-15-18(7-8-19(16)26)24-28-22(34-29-24)9-10-23(31)30-13-11-17(12-14-30)25(32)27-20-5-3-4-6-21(20)33-2/h3-8,15,17H,9-14H2,1-2H3,(H,27,32).
What are the key properties of 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55924257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).