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

C17H20N2O2S — CID 136531042

IUPAC3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(O)cc1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C17H20N2O2S/c20-15-4-1-13(2-5-15)3-6-16(21)19-10-7-14(8-11-19)17-18-9-12-22-17/h1-2,4-5,9,12,14,20H,3,6-8,10-11H2
InChIKeyIMCLKLRUJPIJCP-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.19
Rot. Bonds4

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

3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 136531042) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID136531042
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(O)cc1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C17H20N2O2S/c20-15-4-1-13(2-5-15)3-6-16(21)19-10-7-14(8-11-19)17-18-9-12-22-17/h1-2,4-5,9,12,14,20H,3,6-8,10-11H2
InChIKeyIMCLKLRUJPIJCP-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 56544865
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 110289781
3-(4-hydroxyphenyl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72867933
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628804
1-[4-(dimethylamino)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 110483853
N-cyclopropyl-4-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56579127
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308176

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 136531042) is 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCc1ccc(O)cc1)N1CCC(c2nccs2)CC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is IMCLKLRUJPIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-15-4-1-13(2-5-15)3-6-16(21)19-10-7-14(8-11-19)17-18-9-12-22-17/h1-2,4-5,9,12,14,20H,3,6-8,10-11H2.
What are the key properties of 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 316.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136531042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).