(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one

C18H21N3O2 — CID 51984750

IUPAC(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
SMILESCCc1noc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-2-16-19-18(23-20-16)15-10-6-7-13-21(15)17(22)12-11-14-8-4-3-5-9-14/h3-5,8-9,11-12,15H,2,6-7,10,13H2,1H3/b12-11+/t15-/m1/s1
InChIKeyOBPRWDHQEBAKGS-AYJWMTRPSA-N
MW311.38 g/mol
LogP3.40
Rot. Bonds4

About (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 51984750) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID51984750
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
SMILESCCc1noc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-2-16-19-18(23-20-16)15-10-6-7-13-21(15)17(22)12-11-14-8-4-3-5-9-14/h3-5,8-9,11-12,15H,2,6-7,10,13H2,1H3/b12-11+/t15-/m1/s1
InChIKeyOBPRWDHQEBAKGS-AYJWMTRPSA-N
XLogP3.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 56728275
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305
1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 4222127
(E)-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 42765189
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95110656
1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 171140260
[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56728139
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53191931
3-[2-(dimethylamino)pyrimidin-5-yl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 171139383
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 118786881
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 78084856

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one (CID 51984750) is (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one is CCc1noc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is OBPRWDHQEBAKGS-AYJWMTRPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-16-19-18(23-20-16)15-10-6-7-13-21(15)17(22)12-11-14-8-4-3-5-9-14/h3-5,8-9,11-12,15H,2,6-7,10,13H2,1H3/b12-11+/t15-/m1/s1.
What are the key properties of (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 311.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 51984750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).