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

C14H25N5O3 — CID 120982124

IUPAC3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCOC(C)c1noc(CN(C)CCC(=O)N2CCNCC2)n1
InChIInChI=1S/C14H25N5O3/c1-11(21-3)14-16-12(22-17-14)10-18(2)7-4-13(20)19-8-5-15-6-9-19/h11,15H,4-10H2,1-3H3
InChIKeyYTVRBLFGSSHNKH-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.03
Rot. Bonds7

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

3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982124) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one
PubChem CID120982124
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCOC(C)c1noc(CN(C)CCC(=O)N2CCNCC2)n1
InChIInChI=1S/C14H25N5O3/c1-11(21-3)14-16-12(22-17-14)10-18(2)7-4-13(20)19-8-5-15-6-9-19/h11,15H,4-10H2,1-3H3
InChIKeyYTVRBLFGSSHNKH-UHFFFAOYSA-N
XLogP0.03
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982913
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
cis-(1S,2R)-2-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132563
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915259
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915107
2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride
CID 119945957
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570818
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119914992

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one (CID 120982124) is 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one is COC(C)c1noc(CN(C)CCC(=O)N2CCNCC2)n1.
What is the InChIKey of 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is YTVRBLFGSSHNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-11(21-3)14-16-12(22-17-14)10-18(2)7-4-13(20)19-8-5-15-6-9-19/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one?
3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 311.39 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).