N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C23H24N4O3 — CID 53130383

IUPACN-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-15-4-3-5-19(14-15)23(29)27-12-10-18(11-13-27)22-25-21(26-30-22)17-6-8-20(9-7-17)24-16(2)28/h3-9,14,18H,10-13H2,1-2H3,(H,24,28)
InChIKeyGRXLSOAHMPVJGQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.02
Rot. Bonds4

About N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53130383) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID53130383
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-15-4-3-5-19(14-15)23(29)27-12-10-18(11-13-27)22-25-21(26-30-22)17-6-8-20(9-7-17)24-16(2)28/h3-9,14,18H,10-13H2,1-2H3,(H,24,28)
InChIKeyGRXLSOAHMPVJGQ-UHFFFAOYSA-N
XLogP4.02
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53001355
N-[4-[5-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130405
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130406
N-[4-[5-[(3R)-1-(3-bromobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897499
N-[4-[5-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53013369
N-[4-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 50925853
N-[4-[5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53032108
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide
CID 53131857
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53130383) is N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4cccc(C)c4)CC3)n2)cc1.
What is the InChIKey of N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is GRXLSOAHMPVJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-4-3-5-19(14-15)23(29)27-12-10-18(11-13-27)22-25-21(26-30-22)17-6-8-20(9-7-17)24-16(2)28/h3-9,14,18H,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53130383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).