1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C17H20N2OS — CID 124615998

IUPAC1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC[C@@H]1c1nccs1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c20-16(14-6-2-1-3-7-14)9-12-19-11-5-4-8-15(19)17-18-10-13-21-17/h1-3,6-7,10,13,15H,4-5,8-9,11-12H2/t15-/m1/s1
InChIKeyGMDRDTXXVGFWEN-OAHLLOKOSA-N
MW300.43 g/mol
LogP3.94
Rot. Bonds5

About 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 124615998) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID124615998
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC[C@@H]1c1nccs1)c1ccccc1
InChIInChI=1S/C17H20N2OS/c20-16(14-6-2-1-3-7-14)9-12-19-11-5-4-8-15(19)17-18-10-13-21-17/h1-3,6-7,10,13,15H,4-5,8-9,11-12H2/t15-/m1/s1
InChIKeyGMDRDTXXVGFWEN-OAHLLOKOSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 124615998) is 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCC[C@@H]1c1nccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GMDRDTXXVGFWEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-16(14-6-2-1-3-7-14)9-12-19-11-5-4-8-15(19)17-18-10-13-21-17/h1-3,6-7,10,13,15H,4-5,8-9,11-12H2/t15-/m1/s1.
What are the key properties of 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 300.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124615998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).