5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C21H22N2O3S — CID 3576442

IUPAC5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1cccs1)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C21H22N2O3S/c24-20(9-8-18-7-4-14-27-18)22-12-10-17(11-13-22)23-15-19(26-21(23)25)16-5-2-1-3-6-16/h1-9,14,17,19H,10-13,15H2
InChIKeyXKBDMIRUVSNXMA-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.95
Rot. Bonds4

About 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3576442) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3576442
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1cccs1)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C21H22N2O3S/c24-20(9-8-18-7-4-14-27-18)22-12-10-17(11-13-22)23-15-19(26-21(23)25)16-5-2-1-3-6-16/h1-9,14,17,19H,10-13,15H2
InChIKeyXKBDMIRUVSNXMA-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.95
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

3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3254480
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007021
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 79029428
3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 119100052
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 81469045
1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 51163837
(2S)-1-[1-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 98756236
(2R)-1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95281489
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23763355
5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3811625
5-phenyl-3-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23761134

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3576442) is 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(C=Cc1cccs1)N1CCC(N2CC(c3ccccc3)OC2=O)CC1.
What is the InChIKey of 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XKBDMIRUVSNXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c24-20(9-8-18-7-4-14-27-18)22-12-10-17(11-13-22)23-15-19(26-21(23)25)16-5-2-1-3-6-16/h1-9,14,17,19H,10-13,15H2.
What are the key properties of 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 382.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).