2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone

C18H24N4O3 — CID 164629474

IUPAC2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN([C@@H](C)c3noc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(18-19-14(2)25-20-18)21-8-10-22(11-9-21)17(23)12-15-4-6-16(24-3)7-5-15/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyQXDITIFINHDEFT-ZDUSSCGKSA-N
MW344.42 g/mol
LogP1.83
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 164629474) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID164629474
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN([C@@H](C)c3noc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(18-19-14(2)25-20-18)21-8-10-22(11-9-21)17(23)12-15-4-6-16(24-3)7-5-15/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1
InChIKeyQXDITIFINHDEFT-ZDUSSCGKSA-N
XLogP1.83
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
1-{[3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxybenzoyl)piperazine
CID 16187492
Cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4235504
1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 70856302
5-(4-Methoxybenzyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 705839
(R)-cyclobutyl(2-(3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 812719
(S)-cyclobutyl(2-(3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 812720
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 866887
3-(4-Methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 888680
5-(4-Methoxybenzyl)-3-phenyl-1,2,4-oxadiazole
CID 957143
N-isopropyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-dimethylpropanamide
CID 1258023
1-{3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-hexan-1-one
CID 3226033

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone (CID 164629474) is 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN([C@@H](C)c3noc(C)n3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is QXDITIFINHDEFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(18-19-14(2)25-20-18)21-8-10-22(11-9-21)17(23)12-15-4-6-16(24-3)7-5-15/h4-7,13H,8-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 164629474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).