[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C18H22N2OS — CID 29028808

IUPAC[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccccc1CC[C@@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C18H22N2OS/c1-14-5-2-3-7-16(14)9-8-15-6-4-10-20(11-15)18(21)17-12-22-13-19-17/h2-3,5,7,12-13,15H,4,6,8-11H2,1H3/t15-/m0/s1
InChIKeyFQLSRGHQBWOKSO-HNNXBMFYSA-N
MW314.45 g/mol
LogP3.94
Rot. Bonds4

About [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 29028808) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID29028808
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccccc1CC[C@@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C18H22N2OS/c1-14-5-2-3-7-16(14)9-8-15-6-4-10-20(11-15)18(21)17-12-22-13-19-17/h2-3,5,7,12-13,15H,4,6,8-11H2,1H3/t15-/m0/s1
InChIKeyFQLSRGHQBWOKSO-HNNXBMFYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-thiazol-4-yl-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95532388
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010829
2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773
1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45220879
(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 115667248
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 29028808) is [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is FQLSRGHQBWOKSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-5-2-3-7-16(14)9-8-15-6-4-10-20(11-15)18(21)17-12-22-13-19-17/h2-3,5,7,12-13,15H,4,6,8-11H2,1H3/t15-/m0/s1.
What are the key properties of [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 314.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 29028808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).