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

C14H22N4O3 — CID 110396127

IUPAC1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)CCc2nnc(C)o2)CC1
InChIInChI=1S/C14H22N4O3/c1-3-4-13(19)17-7-9-18(10-8-17)14(20)6-5-12-16-15-11(2)21-12/h3-10H2,1-2H3
InChIKeyPSMMLSFLVUBDOO-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.78
Rot. Bonds5

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

1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one (PubChem CID 110396127) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
PubChem CID110396127
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)CCc2nnc(C)o2)CC1
InChIInChI=1S/C14H22N4O3/c1-3-4-13(19)17-7-9-18(10-8-17)14(20)6-5-12-16-15-11(2)21-12/h3-10H2,1-2H3
InChIKeyPSMMLSFLVUBDOO-UHFFFAOYSA-N
XLogP0.78
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396132
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396174
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110396133
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110333615
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396173
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
CID 82508040
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110396219
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 166250034
3-(4-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395779
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one (CID 110396127) is 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)CCc2nnc(C)o2)CC1.
What is the InChIKey of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one?
The InChIKey is PSMMLSFLVUBDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-4-13(19)17-7-9-18(10-8-17)14(20)6-5-12-16-15-11(2)21-12/h3-10H2,1-2H3.
What are the key properties of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one?
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one has a molecular weight of 294.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110396127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).