[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C16H19FN2O4S — CID 7676508

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESNC(=O)C1CCN(C(=O)COC(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C16H19FN2O4S/c17-12-3-1-2-4-13(12)24-10-15(21)23-9-14(20)19-7-5-11(6-8-19)16(18)22/h1-4,11H,5-10H2,(H2,18,22)
InChIKeyQIZTUMIOLHEELV-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.18
Rot. Bonds6

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7676508) has the molecular formula C16H19FN2O4S and a molecular weight of 354.40 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7676508
Molecular FormulaC16H19FN2O4S
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESNC(=O)C1CCN(C(=O)COC(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C16H19FN2O4S/c17-12-3-1-2-4-13(12)24-10-15(21)23-9-14(20)19-7-5-11(6-8-19)16(18)22/h1-4,11H,5-10H2,(H2,18,22)
InChIKeyQIZTUMIOLHEELV-UHFFFAOYSA-N
XLogP1.18
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7676508) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is NC(=O)C1CCN(C(=O)COC(=O)CSc2ccccc2F)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is QIZTUMIOLHEELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S/c17-12-3-1-2-4-13(12)24-10-15(21)23-9-14(20)19-7-5-11(6-8-19)16(18)22/h1-4,11H,5-10H2,(H2,18,22).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 354.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7676508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).