[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C19H18FN3O2S — CID 51036130

IUPAC[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O2S/c20-16-4-2-1-3-15(16)19(25)5-7-23(8-6-19)18(24)13-9-17(26-12-13)14-10-21-22-11-14/h1-4,9-12,25H,5-8H2,(H,21,22)
InChIKeyGPGXALJIEIOSPM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.40
Rot. Bonds3

About [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 51036130) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID51036130
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O2S/c20-16-4-2-1-3-15(16)19(25)5-7-23(8-6-19)18(24)13-9-17(26-12-13)14-10-21-22-11-14/h1-4,9-12,25H,5-8H2,(H,21,22)
InChIKeyGPGXALJIEIOSPM-UHFFFAOYSA-N
XLogP3.40
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036532
[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 159699446
[5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 118057175
(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54576245
[(1R,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54575987
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone
CID 135505818
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
[4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 58110357
[3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 54576461
(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-6-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 156715789
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 16672954

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 51036130) is [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is GPGXALJIEIOSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-16-4-2-1-3-15(16)19(25)5-7-23(8-6-19)18(24)13-9-17(26-12-13)14-10-21-22-11-14/h1-4,9-12,25H,5-8H2,(H,21,22).
What are the key properties of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 51036130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).