2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide

C16H28N6O2 — CID 120752820

IUPAC2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide
SMILESNCc1nc(CN2CCN(CC(=O)NC3CCCCC3)CC2)no1
InChIInChI=1S/C16H28N6O2/c17-10-16-19-14(20-24-16)11-21-6-8-22(9-7-21)12-15(23)18-13-4-2-1-3-5-13/h13H,1-12,17H2,(H,18,23)
InChIKeyZIBDCCZONGGPSA-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.09
Rot. Bonds6

About 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide

2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide (PubChem CID 120752820) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide
PubChem CID120752820
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide
SMILESNCc1nc(CN2CCN(CC(=O)NC3CCCCC3)CC2)no1
InChIInChI=1S/C16H28N6O2/c17-10-16-19-14(20-24-16)11-21-6-8-22(9-7-21)12-15(23)18-13-4-2-1-3-5-13/h13H,1-12,17H2,(H,18,23)
InChIKeyZIBDCCZONGGPSA-UHFFFAOYSA-N
XLogP0.09
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 120752571
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120752545
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
CID 26431718
2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 120752852
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 120751655
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 120751537

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide (CID 120752820) is 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide is NCc1nc(CN2CCN(CC(=O)NC3CCCCC3)CC2)no1.
What is the InChIKey of 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide?
The InChIKey is ZIBDCCZONGGPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c17-10-16-19-14(20-24-16)11-21-6-8-22(9-7-21)12-15(23)18-13-4-2-1-3-5-13/h13H,1-12,17H2,(H,18,23).
What are the key properties of 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide?
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide has a molecular weight of 336.44 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 120752820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).