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

C13H16N2O3S — CID 110710651

IUPAC3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccs1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C13H16N2O3S/c16-12(11-2-1-9-19-11)14-5-3-10(4-6-14)15-7-8-18-13(15)17/h1-2,9-10H,3-8H2
InChIKeyWBNAHUBMUXMDTN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.80
Rot. Bonds2

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

3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110710651) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110710651
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccs1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C13H16N2O3S/c16-12(11-2-1-9-19-11)14-5-3-10(4-6-14)15-7-8-18-13(15)17/h1-2,9-10H,3-8H2
InChIKeyWBNAHUBMUXMDTN-UHFFFAOYSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
CID 3766535
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70106844
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3416894
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3254480
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3743346

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 110710651) is 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1cccs1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is WBNAHUBMUXMDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12(11-2-1-9-19-11)14-5-3-10(4-6-14)15-7-8-18-13(15)17/h1-2,9-10H,3-8H2.
What are the key properties of 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).