4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

C22H21ClN4O3S — CID 59698874

IUPAC4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCC(Oc3ccccn3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3S/c23-16-6-4-15(5-7-16)21(29)26-22-25-17(14-31-22)13-20(28)27-11-8-18(9-12-27)30-19-3-1-2-10-24-19/h1-7,10,14,18H,8-9,11-13H2,(H,25,26,29)
InChIKeyQGMVRORQIIPZCS-UHFFFAOYSA-N
MW456.96 g/mol
LogP4.06
Rot. Bonds6

About 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 59698874) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID59698874
Molecular FormulaC22H21ClN4O3S
Molecular Weight456.96 g/mol
Exact Mass456.10
IUPAC Name4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCC(Oc3ccccn3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3S/c23-16-6-4-15(5-7-16)21(29)26-22-25-17(14-31-22)13-20(28)27-11-8-18(9-12-27)30-19-3-1-2-10-24-19/h1-7,10,14,18H,8-9,11-13H2,(H,25,26,29)
InChIKeyQGMVRORQIIPZCS-UHFFFAOYSA-N
XLogP4.06
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (CID 59698874) is 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCC(Oc3ccccn3)CC2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QGMVRORQIIPZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c23-16-6-4-15(5-7-16)21(29)26-22-25-17(14-31-22)13-20(28)27-11-8-18(9-12-27)30-19-3-1-2-10-24-19/h1-7,10,14,18H,8-9,11-13H2,(H,25,26,29).
What are the key properties of 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 456.96 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 59698874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).