(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine

C15H18FN3O2S — CID 124953145

IUPAC(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCc1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]1
InChIInChI=1S/C15H18FN3O2S/c1-11-9-17-15(18-11)12-3-2-8-19(10-12)22(20,21)14-6-4-13(16)5-7-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyDTLVIXFZNQRGLO-GFCCVEGCSA-N
MW323.39 g/mol
LogP2.43
Rot. Bonds3

About (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine

(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine (PubChem CID 124953145) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
PubChem CID124953145
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCc1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]1
InChIInChI=1S/C15H18FN3O2S/c1-11-9-17-15(18-11)12-3-2-8-19(10-12)22(20,21)14-6-4-13(16)5-7-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyDTLVIXFZNQRGLO-GFCCVEGCSA-N
XLogP2.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 110104922
(3R)-1-cyclopentylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124985042
(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124991094
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
6-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115095
6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124955446
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 110248076
2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124998243
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine (CID 124953145) is (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine is Cc1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The InChIKey is DTLVIXFZNQRGLO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-11-9-17-15(18-11)12-3-2-8-19(10-12)22(20,21)14-6-4-13(16)5-7-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine has a molecular weight of 323.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 124953145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).