2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

C16H23N3O2 — CID 95221941

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)no1
InChIInChI=1S/C16H23N3O2/c1-2-14-17-16(18-21-14)13-8-5-9-19(11-13)15(20)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3/t12-,13+/m0/s1
InChIKeyBWGVGTLZKMSTHS-QWHCGFSZSA-N
MW289.38 g/mol
LogP2.69
Rot. Bonds4

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 95221941) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
PubChem CID95221941
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)no1
InChIInChI=1S/C16H23N3O2/c1-2-14-17-16(18-21-14)13-8-5-9-19(11-13)15(20)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3/t12-,13+/m0/s1
InChIKeyBWGVGTLZKMSTHS-QWHCGFSZSA-N
XLogP2.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774773
(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one
CID 97359349
1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774772
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754
2-cyclopent-2-en-1-yl-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 75870724
5-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 95734857
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone (CID 95221941) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone is CCc1nc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)no1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is BWGVGTLZKMSTHS-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-14-17-16(18-21-14)13-8-5-9-19(11-13)15(20)10-12-6-3-4-7-12/h3,6,12-13H,2,4-5,7-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95221941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).