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

C14H17BrN2O3S — CID 5008045

IUPAC3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1C1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C14H17BrN2O3S/c1-9-8-20-14(19)17(9)10-2-5-16(6-3-10)13(18)12-11(15)4-7-21-12/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyBACAIANDWAIJNJ-UHFFFAOYSA-N
MW373.27 g/mol
LogP2.96
Rot. Bonds2

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

3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 5008045) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID5008045
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC Name3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1C1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C14H17BrN2O3S/c1-9-8-20-14(19)17(9)10-2-5-16(6-3-10)13(18)12-11(15)4-7-21-12/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyBACAIANDWAIJNJ-UHFFFAOYSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3743346
1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61062075
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one (CID 5008045) is 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one is CC1COC(=O)N1C1CCN(C(=O)c2sccc2Br)CC1.
What is the InChIKey of 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is BACAIANDWAIJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-9-8-20-14(19)17(9)10-2-5-16(6-3-10)13(18)12-11(15)4-7-21-12/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one?
3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 373.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 5008045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).