1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C11H16N2OS — CID 71692446

IUPAC1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-2-10(14)13-6-3-9(4-7-13)11-12-5-8-15-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyQJNMGILYBQMWEC-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.26
Rot. Bonds2

About 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 71692446) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID71692446
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-2-10(14)13-6-3-9(4-7-13)11-12-5-8-15-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyQJNMGILYBQMWEC-UHFFFAOYSA-N
XLogP2.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308176
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 136531042
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 110289781
2-(3,4-dimethylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110308169
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308197

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 71692446) is 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is QJNMGILYBQMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-10(14)13-6-3-9(4-7-13)11-12-5-8-15-11/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 224.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71692446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).