methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C13H18N4O4S — CID 16883842

IUPACmethyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)N2CCC(C(N)=O)CC2)cs1
InChIInChI=1S/C13H18N4O4S/c1-21-13(20)16-12-15-9(7-22-12)6-10(18)17-4-2-8(3-5-17)11(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,20)
InChIKeyLKXRZFKECGBVQA-UHFFFAOYSA-N
MW326.38 g/mol
LogP0.59
Rot. Bonds4

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

methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883842) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883842
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Namemethyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CC(=O)N2CCC(C(N)=O)CC2)cs1
InChIInChI=1S/C13H18N4O4S/c1-21-13(20)16-12-15-9(7-22-12)6-10(18)17-4-2-8(3-5-17)11(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,20)
InChIKeyLKXRZFKECGBVQA-UHFFFAOYSA-N
XLogP0.59
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883842) is methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(CC(=O)N2CCC(C(N)=O)CC2)cs1.
What is the InChIKey of methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is LKXRZFKECGBVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-21-13(20)16-12-15-9(7-22-12)6-10(18)17-4-2-8(3-5-17)11(14)19/h7-8H,2-6H2,1H3,(H2,14,19)(H,15,16,20).
What are the key properties of methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 326.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).