[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C22H22FN3OS — CID 110130702

IUPAC[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCCC1c1ccc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C22H22FN3OS/c1-15-21(28-14-25-15)22(27)26-11-3-2-4-20(26)17-7-10-19(24-13-17)12-16-5-8-18(23)9-6-16/h5-10,13-14,20H,2-4,11-12H2,1H3
InChIKeyMYQRPNRGLBQVSX-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.94
Rot. Bonds4

About [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 110130702) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID110130702
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCCC1c1ccc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C22H22FN3OS/c1-15-21(28-14-25-15)22(27)26-11-3-2-4-20(26)17-7-10-19(24-13-17)12-16-5-8-18(23)9-6-16/h5-10,13-14,20H,2-4,11-12H2,1H3
InChIKeyMYQRPNRGLBQVSX-UHFFFAOYSA-N
XLogP4.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 121146323
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016408
6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 127249660
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
N-(4-fluorophenyl)-4-methyl-2-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637091
cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone
CID 127251981
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127247379
1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 110130776
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124999923
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 98067092
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(4-methyl-1,3-thiazol-5-yl)-4-pyridinyl]methanone
CID 110121434
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454478

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 110130702) is [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCCCC1c1ccc(Cc2ccc(F)cc2)nc1.
What is the InChIKey of [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is MYQRPNRGLBQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c1-15-21(28-14-25-15)22(27)26-11-3-2-4-20(26)17-7-10-19(24-13-17)12-16-5-8-18(23)9-6-16/h5-10,13-14,20H,2-4,11-12H2,1H3.
What are the key properties of [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 395.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110130702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).