(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone

C17H21N3OS — CID 25380199

IUPAC(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-16(22-19-18-13)17(21)20-11-5-8-15(12-20)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m0/s1
InChIKeyQHIDEXWSIIDTFE-HNNXBMFYSA-N
MW315.44 g/mol
LogP3.33
Rot. Bonds4

About (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 25380199) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID25380199
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-16(22-19-18-13)17(21)20-11-5-8-15(12-20)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m0/s1
InChIKeyQHIDEXWSIIDTFE-HNNXBMFYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25310805
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 45206682
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethanone
CID 95463526

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone (CID 25380199) is (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCC[C@@H](CCc2ccccc2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is QHIDEXWSIIDTFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-16(22-19-18-13)17(21)20-11-5-8-15(12-20)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m0/s1.
What are the key properties of (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 315.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25380199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).