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

C14H25N5O2 — CID 119880602

IUPAC4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCN(C(C)c2nc(C)no2)CC1
InChIInChI=1S/C14H25N5O2/c1-11(14-16-12(2)17-21-14)18-7-9-19(10-8-18)13(20)5-4-6-15-3/h11,15H,4-10H2,1-3H3
InChIKeyCOCBZZVNTFEIPO-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.58
Rot. Bonds6

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

4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one (PubChem CID 119880602) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
PubChem CID119880602
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCN(C(C)c2nc(C)no2)CC1
InChIInChI=1S/C14H25N5O2/c1-11(14-16-12(2)17-21-14)18-7-9-19(10-8-18)13(20)5-4-6-15-3/h11,15H,4-10H2,1-3H3
InChIKeyCOCBZZVNTFEIPO-UHFFFAOYSA-N
XLogP0.58
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119857105
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028444
2-(4-chlorophenyl)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028443
(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880632
2-(2-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94818654
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid
CID 136555598
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119894437
1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942042

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one (CID 119880602) is 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one is CNCCCC(=O)N1CCN(C(C)c2nc(C)no2)CC1.
What is the InChIKey of 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
The InChIKey is COCBZZVNTFEIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(14-16-12(2)17-21-14)18-7-9-19(10-8-18)13(20)5-4-6-15-3/h11,15H,4-10H2,1-3H3.
What are the key properties of 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one?
4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one has a molecular weight of 295.39 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119880602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).