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

C13H22N4O3 — CID 56805285

IUPAC3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCN(Cc2noc(C)n2)CC1
InChIInChI=1S/C13H22N4O3/c1-3-19-9-4-13(18)17-7-5-16(6-8-17)10-12-14-11(2)20-15-12/h3-10H2,1-2H3
InChIKeyINZMRTAKFSTZDS-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.45
Rot. Bonds6

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

3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 56805285) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID56805285
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCN(Cc2noc(C)n2)CC1
InChIInChI=1S/C13H22N4O3/c1-3-19-9-4-13(18)17-7-5-16(6-8-17)10-12-14-11(2)20-15-12/h3-10H2,1-2H3
InChIKeyINZMRTAKFSTZDS-UHFFFAOYSA-N
XLogP0.45
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-ethoxypropan-1-one
CID 136523311
4-(methylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119881727
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236
3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56782004
[(1S)-2,2-dichloro-1-methylcyclopropyl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 95623376
2-(cyclohexen-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56788449
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565502
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119882437
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one (CID 56805285) is 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one is CCOCCC(=O)N1CCN(Cc2noc(C)n2)CC1.
What is the InChIKey of 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is INZMRTAKFSTZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-19-9-4-13(18)17-7-5-16(6-8-17)10-12-14-11(2)20-15-12/h3-10H2,1-2H3.
What are the key properties of 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one?
3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 282.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56805285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).