2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one

C12H20N4O2 — CID 110395525

IUPAC2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nnc(CN2CCN(C(=O)C(C)C)CC2)o1
InChIInChI=1S/C12H20N4O2/c1-9(2)12(17)16-6-4-15(5-7-16)8-11-14-13-10(3)18-11/h9H,4-8H2,1-3H3
InChIKeyIIEMZPLWIMZMIP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 110395525) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID110395525
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nnc(CN2CCN(C(=O)C(C)C)CC2)o1
InChIInChI=1S/C12H20N4O2/c1-9(2)12(17)16-6-4-15(5-7-16)8-11-14-13-10(3)18-11/h9H,4-8H2,1-3H3
InChIKeyIIEMZPLWIMZMIP-UHFFFAOYSA-N
XLogP0.68
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

N,N-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 38131946
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110713119
1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 55432083
3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110742086
N-cyclohexyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 110395570
3-(4-tert-butylphenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395606
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116683828
3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butan-2-one
CID 15582700
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110395597
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
CID 110395727
2-methyl-1-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 162374363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one (CID 110395525) is 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one is Cc1nnc(CN2CCN(C(=O)C(C)C)CC2)o1.
What is the InChIKey of 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is IIEMZPLWIMZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)12(17)16-6-4-15(5-7-16)8-11-14-13-10(3)18-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 252.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110395525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).