N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide

C25H27N5O4 — CID 53130355

IUPACN-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C25H27N5O4/c1-16-3-5-19(6-4-16)24(33)26-15-22(32)30-13-11-20(12-14-30)25-28-23(29-34-25)18-7-9-21(10-8-18)27-17(2)31/h3-10,20H,11-15H2,1-2H3,(H,26,33)(H,27,31)
InChIKeySYXOJCXWKFZRFB-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.14
Rot. Bonds6

About N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide

N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 53130355) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
PubChem CID53130355
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC NameN-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C25H27N5O4/c1-16-3-5-19(6-4-16)24(33)26-15-22(32)30-13-11-20(12-14-30)25-28-23(29-34-25)18-7-9-21(10-8-18)27-17(2)31/h3-10,20H,11-15H2,1-2H3,(H,26,33)(H,27,31)
InChIKeySYXOJCXWKFZRFB-UHFFFAOYSA-N
XLogP3.14
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
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-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53001355
N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130383
N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478084
N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130406
N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53032106
N-[2-[4-[3-(4-ethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134477962
N-[4-[5-[(3S)-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897444
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
N-[4-[5-[1-[(2R)-2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93072631

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide (CID 53130355) is N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide is CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccc(C)cc4)CC3)n2)cc1.
What is the InChIKey of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is SYXOJCXWKFZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-16-3-5-19(6-4-16)24(33)26-15-22(32)30-13-11-20(12-14-30)25-28-23(29-34-25)18-7-9-21(10-8-18)27-17(2)31/h3-10,20H,11-15H2,1-2H3,(H,26,33)(H,27,31).
What are the key properties of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 461.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 53130355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).