[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C19H24FN3OS — CID 95550139

IUPAC[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3OS/c1-2-4-17-18(25-22-21-17)19(24)23-12-3-5-15(13-23)7-6-14-8-10-16(20)11-9-14/h8-11,15H,2-7,12-13H2,1H3/t15-/m0/s1
InChIKeyNGRHIMHSTMCSGT-HNNXBMFYSA-N
MW361.49 g/mol
LogP4.11
Rot. Bonds6

About [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 95550139) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID95550139
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3OS/c1-2-4-17-18(25-22-21-17)19(24)23-12-3-5-15(13-23)7-6-14-8-10-16(20)11-9-14/h8-11,15H,2-7,12-13H2,1H3/t15-/m0/s1
InChIKeyNGRHIMHSTMCSGT-HNNXBMFYSA-N
XLogP4.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 95554892
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25310805
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550158
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71808797
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 95550139) is [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is NGRHIMHSTMCSGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-2-4-17-18(25-22-21-17)19(24)23-12-3-5-15(13-23)7-6-14-8-10-16(20)11-9-14/h8-11,15H,2-7,12-13H2,1H3/t15-/m0/s1.
What are the key properties of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 361.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 95550139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).