[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate

C15H21N3O4S2 — CID 9475402

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCc1nc(CSCC(=O)OCC(=O)N2CCC(C(N)=O)CC2)cs1
InChIInChI=1S/C15H21N3O4S2/c1-10-17-12(8-24-10)7-23-9-14(20)22-6-13(19)18-4-2-11(3-5-18)15(16)21/h8,11H,2-7,9H2,1H3,(H2,16,21)
InChIKeyXCWWMYUWQFGSSA-UHFFFAOYSA-N
MW371.48 g/mol
LogP0.95
Rot. Bonds7

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate (PubChem CID 9475402) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
PubChem CID9475402
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCc1nc(CSCC(=O)OCC(=O)N2CCC(C(N)=O)CC2)cs1
InChIInChI=1S/C15H21N3O4S2/c1-10-17-12(8-24-10)7-23-9-14(20)22-6-13(19)18-4-2-11(3-5-18)15(16)21/h8,11H,2-7,9H2,1H3,(H2,16,21)
InChIKeyXCWWMYUWQFGSSA-UHFFFAOYSA-N
XLogP0.95
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate (CID 9475402) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate is Cc1nc(CSCC(=O)OCC(=O)N2CCC(C(N)=O)CC2)cs1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The InChIKey is XCWWMYUWQFGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-10-17-12(8-24-10)7-23-9-14(20)22-6-13(19)18-4-2-11(3-5-18)15(16)21/h8,11H,2-7,9H2,1H3,(H2,16,21).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate has a molecular weight of 371.48 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 9475402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).