1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone

C15H22N2O2S — CID 95778898

IUPAC1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
SMILESCc1csc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1
InChIInChI=1S/C15H22N2O2S/c1-11-10-20-15(16-11)12-4-2-6-17(9-12)14(18)8-13-5-3-7-19-13/h10,12-13H,2-9H2,1H3/t12-,13-/m1/s1
InChIKeyPUBAMYFKVSXCHC-CHWSQXEVSA-N
MW294.42 g/mol
LogP2.73
Rot. Bonds3

About 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone

1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone (PubChem CID 95778898) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
PubChem CID95778898
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
SMILESCc1csc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1
InChIInChI=1S/C15H22N2O2S/c1-11-10-20-15(16-11)12-4-2-6-17(9-12)14(18)8-13-5-3-7-19-13/h10,12-13H,2-9H2,1H3/t12-,13-/m1/s1
InChIKeyPUBAMYFKVSXCHC-CHWSQXEVSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone (CID 95778898) is 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone is Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The InChIKey is PUBAMYFKVSXCHC-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-10-20-15(16-11)12-4-2-6-17(9-12)14(18)8-13-5-3-7-19-13/h10,12-13H,2-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone has a molecular weight of 294.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone is sourced from PubChem (CID 95778898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).