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

C17H20FN3OS — CID 42310649

IUPAC[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C17H20FN3OS/c1-12-16(23-20-19-12)17(22)21-10-4-5-13(11-21)8-9-14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyYTXHFUSRRDQYFZ-ZDUSSCGKSA-N
MW333.43 g/mol
LogP3.47
Rot. Bonds4

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

[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 42310649) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID42310649
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C17H20FN3OS/c1-12-16(23-20-19-12)17(22)21-10-4-5-13(11-21)8-9-14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyYTXHFUSRRDQYFZ-ZDUSSCGKSA-N
XLogP3.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide
CID 71806832
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 95463717
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916
(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 42564796

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 42310649) is [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1.
What is the InChIKey of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is YTXHFUSRRDQYFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-12-16(23-20-19-12)17(22)21-10-4-5-13(11-21)8-9-14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 333.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 42310649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).