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

C24H26N4O4 — CID 53001355

IUPACN-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)COc4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-16-4-3-5-21(14-16)31-15-22(30)28-12-10-19(11-13-28)24-26-23(27-32-24)18-6-8-20(9-7-18)25-17(2)29/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,29)
InChIKeyFOXDPDKKOWXUKP-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.79
Rot. Bonds6

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

N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53001355) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID53001355
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)COc4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-16-4-3-5-21(14-16)31-15-22(30)28-12-10-19(11-13-28)24-26-23(27-32-24)18-6-8-20(9-7-18)25-17(2)29/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,29)
InChIKeyFOXDPDKKOWXUKP-UHFFFAOYSA-N
XLogP3.79
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130383
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53130355
N-[4-[5-[(3R)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071652
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 5042134
N-[4-[5-[1-[(2R)-2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93072631
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53032106
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
N-[4-[5-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53011866
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-oxobutanoate
CID 42760340
N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130406

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53001355) is N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)COc4cccc(C)c4)CC3)n2)cc1.
What is the InChIKey of N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is FOXDPDKKOWXUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-4-3-5-21(14-16)31-15-22(30)28-12-10-19(11-13-28)24-26-23(27-32-24)18-6-8-20(9-7-18)25-17(2)29/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53001355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).