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

C19H24N2O2S — CID 95762121

IUPAC(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](COCc1ccccc1)C(=O)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C19H24N2O2S/c1-15(13-23-14-16-6-3-2-4-7-16)19(22)21-10-5-8-17(12-21)18-20-9-11-24-18/h2-4,6-7,9,11,15,17H,5,8,10,12-14H2,1H3/t15-,17-/m1/s1
InChIKeyPCOFMYWLTBXCBT-NVXWUHKLSA-N
MW344.48 g/mol
LogP3.70
Rot. Bonds6

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

(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95762121) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95762121
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](COCc1ccccc1)C(=O)N1CCC[C@@H](c2nccs2)C1
InChIInChI=1S/C19H24N2O2S/c1-15(13-23-14-16-6-3-2-4-7-16)19(22)21-10-5-8-17(12-21)18-20-9-11-24-18/h2-4,6-7,9,11,15,17H,5,8,10,12-14H2,1H3/t15-,17-/m1/s1
InChIKeyPCOFMYWLTBXCBT-NVXWUHKLSA-N
XLogP3.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95762121) is (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is C[C@H](COCc1ccccc1)C(=O)N1CCC[C@@H](c2nccs2)C1.
What is the InChIKey of (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is PCOFMYWLTBXCBT-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(13-23-14-16-6-3-2-4-7-16)19(22)21-10-5-8-17(12-21)18-20-9-11-24-18/h2-4,6-7,9,11,15,17H,5,8,10,12-14H2,1H3/t15-,17-/m1/s1.
What are the key properties of (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95762121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).