2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C17H26N2O2S — CID 95770159

IUPAC2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESC[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C17H26N2O2S/c1-13-6-2-3-8-15(13)21-12-16(20)19-10-5-4-7-14(19)17-18-9-11-22-17/h9,11,13-15H,2-8,10,12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyWPSPELQKKCGEFZ-RBSFLKMASA-N
MW322.47 g/mol
LogP3.79
Rot. Bonds4

About 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95770159) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95770159
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESC[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C17H26N2O2S/c1-13-6-2-3-8-15(13)21-12-16(20)19-10-5-4-7-14(19)17-18-9-11-22-17/h9,11,13-15H,2-8,10,12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyWPSPELQKKCGEFZ-RBSFLKMASA-N
XLogP3.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95770159) is 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1c1nccs1.
What is the InChIKey of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is WPSPELQKKCGEFZ-RBSFLKMASA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-6-2-3-8-15(13)21-12-16(20)19-10-5-4-7-14(19)17-18-9-11-22-17/h9,11,13-15H,2-8,10,12H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 322.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95770159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).