3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C18H31N5O2 — CID 95283793

IUPAC3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCc1noc([C@H](C)N2CCN(CCC(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-3-16-19-18(25-20-16)15(2)22-13-11-21(12-14-22)10-7-17(24)23-8-5-4-6-9-23/h15H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyJJDKKVMKXGAHCV-HNNXBMFYSA-N
MW349.48 g/mol
LogP1.71
Rot. Bonds6

About 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 95283793) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID95283793
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCc1noc([C@H](C)N2CCN(CCC(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-3-16-19-18(25-20-16)15(2)22-13-11-21(12-14-22)10-7-17(24)23-8-5-4-6-9-23/h15H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyJJDKKVMKXGAHCV-HNNXBMFYSA-N
XLogP1.71
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 94799308
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95282589
2-cyclopentyl-1-[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 95327340
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
5-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 51931920
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 134052866
(2S)-2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119880696

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 95283793) is 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is CCc1noc([C@H](C)N2CCN(CCC(=O)N3CCCCC3)CC2)n1.
What is the InChIKey of 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is JJDKKVMKXGAHCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-3-16-19-18(25-20-16)15(2)22-13-11-21(12-14-22)10-7-17(24)23-8-5-4-6-9-23/h15H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 349.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 95283793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).