1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione

C14H16N2O4S — CID 3766535

IUPAC1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCC(N2CCOC2=O)CC1)c1cccs1
InChIInChI=1S/C14H16N2O4S/c17-12(11-2-1-9-21-11)13(18)15-5-3-10(4-6-15)16-7-8-20-14(16)19/h1-2,9-10H,3-8H2
InChIKeyJVPDHOKVTDBPDY-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.37
Rot. Bonds3

About 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione

1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione (PubChem CID 3766535) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
PubChem CID3766535
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCC(N2CCOC2=O)CC1)c1cccs1
InChIInChI=1S/C14H16N2O4S/c17-12(11-2-1-9-21-11)13(18)15-5-3-10(4-6-15)16-7-8-20-14(16)19/h1-2,9-10H,3-8H2
InChIKeyJVPDHOKVTDBPDY-UHFFFAOYSA-N
XLogP1.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996
1-(azepan-1-yl)-2-thiophen-2-ylethane-1,2-dione
CID 82116951
3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3254480
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710638
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3416894
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657
1-[1-(thiophene-2-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70106844
3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3743346
4-(2-oxo-1,3-oxazolidin-3-yl)-N-propylpiperidine-1-carboxamide
CID 110747077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione?
The IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione (CID 3766535) is 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione?
The canonical SMILES for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione is O=C(C(=O)N1CCC(N2CCOC2=O)CC1)c1cccs1.
What is the InChIKey of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione?
The InChIKey is JVPDHOKVTDBPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-12(11-2-1-9-21-11)13(18)15-5-3-10(4-6-15)16-7-8-20-14(16)19/h1-2,9-10H,3-8H2.
What are the key properties of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione?
1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione has a molecular weight of 308.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione is sourced from PubChem (CID 3766535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).