1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

C20H28N4O3 — CID 29152989

IUPAC1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCc1cc(-c2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)c(C)o1
InChIInChI=1S/C20H28N4O3/c1-14-13-17(15(2)26-14)20-22-21-18(27-20)7-8-19(25)24-11-9-23(10-12-24)16-5-3-4-6-16/h13,16H,3-12H2,1-2H3
InChIKeyIROWSQBYOQRGDL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 29152989) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID29152989
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCc1cc(-c2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)c(C)o1
InChIInChI=1S/C20H28N4O3/c1-14-13-17(15(2)26-14)20-22-21-18(27-20)7-8-19(25)24-11-9-23(10-12-24)16-5-3-4-6-16/h13,16H,3-12H2,1-2H3
InChIKeyIROWSQBYOQRGDL-UHFFFAOYSA-N
XLogP2.97
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26391579
1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95590153
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396132
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]butan-1-one
CID 110396127
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110396133
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 129446163
ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110335223

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 29152989) is 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one is Cc1cc(-c2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)c(C)o1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is IROWSQBYOQRGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-13-17(15(2)26-14)20-22-21-18(27-20)7-8-19(25)24-11-9-23(10-12-24)16-5-3-4-6-16/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 372.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 29152989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).