4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride

C14H27Cl2N5O2 — CID 120565502

IUPAC4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)CCC(C)N)CC2)no1.Cl.Cl
InChIInChI=1S/C14H25N5O2.2ClH/c1-3-13-16-12(17-21-13)10-18-6-8-19(9-7-18)14(20)5-4-11(2)15;;/h11H,3-10,15H2,1-2H3;2*1H
InChIKeyFIFQOFFASBYWON-UHFFFAOYSA-N
MW368.31 g/mol
LogP1.25
Rot. Bonds6

About 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride

4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride (PubChem CID 120565502) has the molecular formula C14H27Cl2N5O2 and a molecular weight of 368.31 g/mol. Its IUPAC name is 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
PubChem CID120565502
Molecular FormulaC14H27Cl2N5O2
Molecular Weight368.31 g/mol
Exact Mass367.15
IUPAC Name4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)CCC(C)N)CC2)no1.Cl.Cl
InChIInChI=1S/C14H25N5O2.2ClH/c1-3-13-16-12(17-21-13)10-18-6-8-19(9-7-18)14(20)5-4-11(2)15;;/h11H,3-10,15H2,1-2H3;2*1H
InChIKeyFIFQOFFASBYWON-UHFFFAOYSA-N
XLogP1.25
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride with MolForge

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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
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704414
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119882437
2-(4-aminophenyl)-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882434
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119882433
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800306
N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918519
(Z)-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-phenylbut-2-en-1-one
CID 56786947
3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56805285
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300
3-[3-[(4-butanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 46278442

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride (CID 120565502) is 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride is CCc1nc(CN2CCN(C(=O)CCC(C)N)CC2)no1.Cl.Cl.
What is the InChIKey of 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
The InChIKey is FIFQOFFASBYWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2.2ClH/c1-3-13-16-12(17-21-13)10-18-6-8-19(9-7-18)14(20)5-4-11(2)15;;/h11H,3-10,15H2,1-2H3;2*1H.
What are the key properties of 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride is sourced from PubChem (CID 120565502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).