(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one

C18H23N3O2S — CID 95771251

IUPAC(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESCCc1csc([C@@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)n1
InChIInChI=1S/C18H23N3O2S/c1-3-15-12-24-17(20-15)14-6-5-9-21(11-14)18(22)13(2)23-16-7-4-8-19-10-16/h4,7-8,10,12-14H,3,5-6,9,11H2,1-2H3/t13-,14+/m0/s1
InChIKeyXPHCGLVHMKRREJ-UONOGXRCSA-N
MW345.47 g/mol
LogP3.27
Rot. Bonds5

About (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one

(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one (PubChem CID 95771251) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one
PubChem CID95771251
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESCCc1csc([C@@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)n1
InChIInChI=1S/C18H23N3O2S/c1-3-15-12-24-17(20-15)14-6-5-9-21(11-14)18(22)13(2)23-16-7-4-8-19-10-16/h4,7-8,10,12-14H,3,5-6,9,11H2,1-2H3/t13-,14+/m0/s1
InChIKeyXPHCGLVHMKRREJ-UONOGXRCSA-N
XLogP3.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 86951123
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461309
3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
(2R)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95767904
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119873569
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
(2S)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 9235851
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The IUPAC name of (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one (CID 95771251) is (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one.
What is the SMILES notation for (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The canonical SMILES for (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one is CCc1csc([C@@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)n1.
What is the InChIKey of (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The InChIKey is XPHCGLVHMKRREJ-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-15-12-24-17(20-15)14-6-5-9-21(11-14)18(22)13(2)23-16-7-4-8-19-10-16/h4,7-8,10,12-14H,3,5-6,9,11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one has a molecular weight of 345.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one is sourced from PubChem (CID 95771251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).