4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C18H26N2O3S — CID 3671179

IUPAC4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H26N2O3S/c1-3-13(2)16-12-23-18(22)20(16)14-6-8-19(9-7-14)17(21)11-15-5-4-10-24-15/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3
InChIKeyMRTNNGOOGBVXOU-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.15
Rot. Bonds5

About 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3671179) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3671179
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H26N2O3S/c1-3-13(2)16-12-23-18(22)20(16)14-6-8-19(9-7-14)17(21)11-15-5-4-10-24-15/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3
InChIKeyMRTNNGOOGBVXOU-UHFFFAOYSA-N
XLogP3.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

benzyl (4S)-2-oxo-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74229565
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4985195
4-(4-butan-2-yl-2-oxo-1,3-oxazolidin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-1-carbothioamide
CID 4994095
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23935959
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42881406
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3671179) is 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCC(C)C1COC(=O)N1C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MRTNNGOOGBVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-13(2)16-12-23-18(22)20(16)14-6-8-19(9-7-14)17(21)11-15-5-4-10-24-15/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3.
What are the key properties of 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 350.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3671179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).