2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

C16H27N5O3 — CID 120800306

IUPAC2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCCc1nc(CN2CCN(C(=O)C(N)C3CCOCC3)CC2)no1
InChIInChI=1S/C16H27N5O3/c1-2-14-18-13(19-24-14)11-20-5-7-21(8-6-20)16(22)15(17)12-3-9-23-10-4-12/h12,15H,2-11,17H2,1H3
InChIKeyCEKMZAMUBMULJH-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.03
Rot. Bonds5

About 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120800306) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120800306
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCCc1nc(CN2CCN(C(=O)C(N)C3CCOCC3)CC2)no1
InChIInChI=1S/C16H27N5O3/c1-2-14-18-13(19-24-14)11-20-5-7-21(8-6-20)16(22)15(17)12-3-9-23-10-4-12/h12,15H,2-11,17H2,1H3
InChIKeyCEKMZAMUBMULJH-UHFFFAOYSA-N
XLogP0.03
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119882479
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120799077
4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565502
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119882433
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704414
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
2-amino-2-(oxan-4-yl)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone;trihydrochloride
CID 120801673
2-amino-2-(oxan-4-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 120800962
2-amino-2-(oxan-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 120801574
2-amino-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797085
2-amino-1-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120801420
2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120797730

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone (CID 120800306) is 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone is CCc1nc(CN2CCN(C(=O)C(N)C3CCOCC3)CC2)no1.
What is the InChIKey of 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is CEKMZAMUBMULJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-2-14-18-13(19-24-14)11-20-5-7-21(8-6-20)16(22)15(17)12-3-9-23-10-4-12/h12,15H,2-11,17H2,1H3.
What are the key properties of 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 337.42 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120800306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).