(E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one

C19H19N3O2S2 — CID 178188173

IUPAC(E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C19H19N3O2S2/c23-18(6-5-16-4-2-9-26-16)22-8-1-3-14(12-22)11-17-20-19(21-24-17)15-7-10-25-13-15/h2,4-7,9-10,13-14H,1,3,8,11-12H2/b6-5+
InChIKeyIKZMZAWJTDJGQZ-AATRIKPKSA-N
MW385.51 g/mol
LogP4.35
Rot. Bonds5

About (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one

(E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 178188173) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
PubChem CID178188173
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name(E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C19H19N3O2S2/c23-18(6-5-16-4-2-9-26-16)22-8-1-3-14(12-22)11-17-20-19(21-24-17)15-7-10-25-13-15/h2,4-7,9-10,13-14H,1,3,8,11-12H2/b6-5+
InChIKeyIKZMZAWJTDJGQZ-AATRIKPKSA-N
XLogP4.35
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 90642516
(Z)-3-(3,4-dimethoxyphenyl)-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 90642582
3-chloro-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642546
2-pyrazol-1-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642645
3-cyclohexyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642538
oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90642733
(E)-1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 50840181
2-propyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642532
1-adamantyl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642539
N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642769
(2-methoxyphenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642556
quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642632

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one (CID 178188173) is (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is IKZMZAWJTDJGQZ-AATRIKPKSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-18(6-5-16-4-2-9-26-16)22-8-1-3-14(12-22)11-17-20-19(21-24-17)15-7-10-25-13-15/h2,4-7,9-10,13-14H,1,3,8,11-12H2/b6-5+.
What are the key properties of (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one?
(E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 385.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 178188173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).