3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C15H20N2O4S — CID 3416894

IUPAC3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCOc1ccsc1C(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-20-12-5-10-22-13(12)14(18)16-6-3-11(4-7-16)17-8-9-21-15(17)19/h5,10-11H,2-4,6-9H2,1H3
InChIKeyBJQWBWHOKSKPQR-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.20
Rot. Bonds4

About 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3416894) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3416894
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCOc1ccsc1C(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-20-12-5-10-22-13(12)14(18)16-6-3-11(4-7-16)17-8-9-21-15(17)19/h5,10-11H,2-4,6-9H2,1H3
InChIKeyBJQWBWHOKSKPQR-UHFFFAOYSA-N
XLogP2.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3743346
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710638
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
CID 3314837
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710659
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666
1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
CID 3766535
3-[1-(5-methoxy-1-methylindole-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 70727049
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3688431

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3416894) is 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCOc1ccsc1C(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is BJQWBWHOKSKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-20-12-5-10-22-13(12)14(18)16-6-3-11(4-7-16)17-8-9-21-15(17)19/h5,10-11H,2-4,6-9H2,1H3.
What are the key properties of 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 324.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3416894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).