ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

C21H23N3O5S — CID 3700877

IUPACethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C21H23N3O5S/c1-2-28-20(26)16-13-29-21(27)24(16)14-8-11-23(12-9-14)19(25)18-7-6-17(30-18)15-5-3-4-10-22-15/h3-7,10,14,16H,2,8-9,11-13H2,1H3
InChIKeyQEQFHJYUVLWQLB-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.80
Rot. Bonds5

About ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (PubChem CID 3700877) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
PubChem CID3700877
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Nameethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C21H23N3O5S/c1-2-28-20(26)16-13-29-21(27)24(16)14-8-11-23(12-9-14)19(25)18-7-6-17(30-18)15-5-3-4-10-22-15/h3-7,10,14,16H,2,8-9,11-13H2,1H3
InChIKeyQEQFHJYUVLWQLB-UHFFFAOYSA-N
XLogP2.80
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (CID 3700877) is ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1.
What is the InChIKey of ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The InChIKey is QEQFHJYUVLWQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-2-28-20(26)16-13-29-21(27)24(16)14-8-11-23(12-9-14)19(25)18-7-6-17(30-18)15-5-3-4-10-22-15/h3-7,10,14,16H,2,8-9,11-13H2,1H3.
What are the key properties of ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate has a molecular weight of 429.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3700877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).