1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone

C9H14N4O2 — CID 141094503

IUPAC1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ncon2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(14)6-8-10-7-15-11-8/h7H,2-6H2,1H3
InChIKeyJQIZFHZEJQPRKD-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.61
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone

1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 141094503) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone
PubChem CID141094503
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ncon2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(14)6-8-10-7-15-11-8/h7H,2-6H2,1H3
InChIKeyJQIZFHZEJQPRKD-UHFFFAOYSA-N
XLogP-0.61
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone (CID 141094503) is 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone is CN1CCN(C(=O)Cc2ncon2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is JQIZFHZEJQPRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(14)6-8-10-7-15-11-8/h7H,2-6H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 141094503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).