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

C19H28N2O4S — CID 3822058

IUPAC4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2sccc2OCC)CC1
InChIInChI=1S/C19H28N2O4S/c1-3-5-6-15-13-25-19(23)21(15)14-7-10-20(11-8-14)18(22)17-16(24-4-2)9-12-26-17/h9,12,14-15H,3-8,10-11,13H2,1-2H3
InChIKeySFQRVYGGHLMDBR-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.76
Rot. Bonds7

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

4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3822058) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3822058
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2sccc2OCC)CC1
InChIInChI=1S/C19H28N2O4S/c1-3-5-6-15-13-25-19(23)21(15)14-7-10-20(11-8-14)18(22)17-16(24-4-2)9-12-26-17/h9,12,14-15H,3-8,10-11,13H2,1-2H3
InChIKeySFQRVYGGHLMDBR-UHFFFAOYSA-N
XLogP3.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3822058) is 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCCCC1COC(=O)N1C1CCN(C(=O)c2sccc2OCC)CC1.
What is the InChIKey of 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is SFQRVYGGHLMDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-3-5-6-15-13-25-19(23)21(15)14-7-10-20(11-8-14)18(22)17-16(24-4-2)9-12-26-17/h9,12,14-15H,3-8,10-11,13H2,1-2H3.
What are the key properties of 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 380.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3822058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).