3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C16H20N2O4S — CID 121156582

IUPAC3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccsc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C16H20N2O4S/c1-11-6-9-23-13(11)2-3-14(19)17-7-4-12(5-8-17)18-15(20)10-22-16(18)21/h6,9,12H,2-5,7-8,10H2,1H3
InChIKeyCYIVGFNJOYBHSC-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.96
Rot. Bonds4

About 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156582) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156582
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccsc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C16H20N2O4S/c1-11-6-9-23-13(11)2-3-14(19)17-7-4-12(5-8-17)18-15(20)10-22-16(18)21/h6,9,12H,2-5,7-8,10H2,1H3
InChIKeyCYIVGFNJOYBHSC-UHFFFAOYSA-N
XLogP1.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156582) is 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is Cc1ccsc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CYIVGFNJOYBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-6-9-23-13(11)2-3-14(19)17-7-4-12(5-8-17)18-15(20)10-22-16(18)21/h6,9,12H,2-5,7-8,10H2,1H3.
What are the key properties of 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 336.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).