N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide

C20H27N5O3 — CID 86931722

IUPACN-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2nc(C)no2)CC1
InChIInChI=1S/C20H27N5O3/c1-3-16-6-4-5-7-17(16)22-18(26)14-24-10-12-25(13-11-24)20(27)9-8-19-21-15(2)23-28-19/h4-7H,3,8-14H2,1-2H3,(H,22,26)
InChIKeyFNBZSTUIOOMYNH-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.66
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 86931722) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
PubChem CID86931722
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2nc(C)no2)CC1
InChIInChI=1S/C20H27N5O3/c1-3-16-6-4-5-7-17(16)22-18(26)14-24-10-12-25(13-11-24)20(27)9-8-19-21-15(2)23-28-19/h4-7H,3,8-14H2,1-2H3,(H,22,26)
InChIKeyFNBZSTUIOOMYNH-UHFFFAOYSA-N
XLogP1.66
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27852073
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
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N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120752545
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CID 9436502
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3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55370076
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide (CID 86931722) is N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2nc(C)no2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is FNBZSTUIOOMYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-16-6-4-5-7-17(16)22-18(26)14-24-10-12-25(13-11-24)20(27)9-8-19-21-15(2)23-28-19/h4-7H,3,8-14H2,1-2H3,(H,22,26).
What are the key properties of N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86931722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).