3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one

C15H19ClN2O3S — CID 3314837

IUPAC3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)c3sccc3Cl)CC2)C(=O)O1
InChIInChI=1S/C15H19ClN2O3S/c1-2-11-9-18(15(20)21-11)10-3-6-17(7-4-10)14(19)13-12(16)5-8-22-13/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyIVABHYYIGPJABQ-UHFFFAOYSA-N
MW342.85 g/mol
LogP3.24
Rot. Bonds3

About 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one

3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 3314837) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID3314837
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)c3sccc3Cl)CC2)C(=O)O1
InChIInChI=1S/C15H19ClN2O3S/c1-2-11-9-18(15(20)21-11)10-3-6-17(7-4-10)14(19)13-12(16)5-8-22-13/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyIVABHYYIGPJABQ-UHFFFAOYSA-N
XLogP3.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4686280
5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3710932
(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 114683220
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80641541
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3416894
4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 5198504
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666
(3-chlorothiophen-2-yl)-[(6R)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methanone
CID 124749226
5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3486030

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one (CID 3314837) is 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one is CCC1CN(C2CCN(C(=O)c3sccc3Cl)CC2)C(=O)O1.
What is the InChIKey of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is IVABHYYIGPJABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-2-11-9-18(15(20)21-11)10-3-6-17(7-4-10)14(19)13-12(16)5-8-22-13/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one?
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 342.85 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3314837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).