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

C19H24N4O3 — CID 110396163

IUPAC1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nnc(CCC(=O)N2CCN(C(=O)CCc3ccccc3)CC2)o1
InChIInChI=1S/C19H24N4O3/c1-15-20-21-17(26-15)8-10-19(25)23-13-11-22(12-14-23)18(24)9-7-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3
InChIKeyIHTOBNCUUWOOHU-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.61
Rot. Bonds6

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

1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110396163) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110396163
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nnc(CCC(=O)N2CCN(C(=O)CCc3ccccc3)CC2)o1
InChIInChI=1S/C19H24N4O3/c1-15-20-21-17(26-15)8-10-19(25)23-13-11-22(12-14-23)18(24)9-7-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3
InChIKeyIHTOBNCUUWOOHU-UHFFFAOYSA-N
XLogP1.61
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]butan-1-one
CID 110396127
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110333615
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
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-(4-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396174
3-(4-tert-butylphenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395606
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396173
1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 136523299
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110396219
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one (CID 110396163) is 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one is Cc1nnc(CCC(=O)N2CCN(C(=O)CCc3ccccc3)CC2)o1.
What is the InChIKey of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is IHTOBNCUUWOOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-15-20-21-17(26-15)8-10-19(25)23-13-11-22(12-14-23)18(24)9-7-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3.
What are the key properties of 1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.61, 6 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]-3-phenylpropan-1-one is sourced from PubChem (CID 110396163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).