2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone

C17H30N6O2 — CID 120752852

IUPAC2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CC2CCN(Cc3noc(CN)n3)CC2)CC1
InChIInChI=1S/C17H30N6O2/c1-2-21-7-9-23(10-8-21)17(24)11-14-3-5-22(6-4-14)13-15-19-16(12-18)25-20-15/h14H,2-13,18H2,1H3
InChIKeyUNDOUDHXYRPSSW-UHFFFAOYSA-N
MW350.47 g/mol
LogP0.29
Rot. Bonds6

About 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone

2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 120752852) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID120752852
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CC2CCN(Cc3noc(CN)n3)CC2)CC1
InChIInChI=1S/C17H30N6O2/c1-2-21-7-9-23(10-8-21)17(24)11-14-3-5-22(6-4-14)13-15-19-16(12-18)25-20-15/h14H,2-13,18H2,1H3
InChIKeyUNDOUDHXYRPSSW-UHFFFAOYSA-N
XLogP0.29
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.29
H-Bond Donors ≤ 51
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
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 120752659
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
1-(4-ethylpiperazin-1-yl)-2-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanone
CID 86902074
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 120750981
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119882479
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704414
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927948
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
CID 120751085

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone (CID 120752852) is 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CC2CCN(Cc3noc(CN)n3)CC2)CC1.
What is the InChIKey of 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is UNDOUDHXYRPSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-2-21-7-9-23(10-8-21)17(24)11-14-3-5-22(6-4-14)13-15-19-16(12-18)25-20-15/h14H,2-13,18H2,1H3.
What are the key properties of 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 350.47 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120752852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).