3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C16H19N3OS — CID 124553959

IUPAC3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1cccnc1)N1CCC[C@H](c2nccs2)C1
InChIInChI=1S/C16H19N3OS/c20-15(6-5-13-3-1-7-17-11-13)19-9-2-4-14(12-19)16-18-8-10-21-16/h1,3,7-8,10-11,14H,2,4-6,9,12H2/t14-/m0/s1
InChIKeyUVHXXUPRXCROPP-AWEZNQCLSA-N
MW301.41 g/mol
LogP2.88
Rot. Bonds4

About 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 124553959) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID124553959
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1cccnc1)N1CCC[C@H](c2nccs2)C1
InChIInChI=1S/C16H19N3OS/c20-15(6-5-13-3-1-7-17-11-13)19-9-2-4-14(12-19)16-18-8-10-21-16/h1,3,7-8,10-11,14H,2,4-6,9,12H2/t14-/m0/s1
InChIKeyUVHXXUPRXCROPP-AWEZNQCLSA-N
XLogP2.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridin-3-ylmethyl)amino]-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 125015209
3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 56544865
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761150
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
N-cyclopropyl-4-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56579127
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
3-(3-bromo-4-methoxyphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 56532952

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 124553959) is 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCc1cccnc1)N1CCC[C@H](c2nccs2)C1.
What is the InChIKey of 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is UVHXXUPRXCROPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(6-5-13-3-1-7-17-11-13)19-9-2-4-14(12-19)16-18-8-10-21-16/h1,3,7-8,10-11,14H,2,4-6,9,12H2/t14-/m0/s1.
What are the key properties of 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 301.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124553959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).