2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine

C22H22FN3O2S — CID 110255013

IUPAC2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C22H22FN3O2S/c23-20-11-5-4-10-19(20)22-21(24-12-13-25-22)18-9-6-14-26(15-18)29(27,28)16-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2
InChIKeyBWDAVHWUAWPFFR-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.99
Rot. Bonds5

About 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine

2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine (PubChem CID 110255013) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine
PubChem CID110255013
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C22H22FN3O2S/c23-20-11-5-4-10-19(20)22-21(24-12-13-25-22)18-9-6-14-26(15-18)29(27,28)16-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2
InChIKeyBWDAVHWUAWPFFR-UHFFFAOYSA-N
XLogP3.99
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819329
3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819416
2-(2-fluorophenyl)-3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrazine
CID 110254812
1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95818834

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine?
The IUPAC name of 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine (CID 110255013) is 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine.
What is the SMILES notation for 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine?
The canonical SMILES for 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine is O=S(=O)(Cc1ccccc1)N1CCCC(c2nccnc2-c2ccccc2F)C1.
What is the InChIKey of 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine?
The InChIKey is BWDAVHWUAWPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-20-11-5-4-10-19(20)22-21(24-12-13-25-22)18-9-6-14-26(15-18)29(27,28)16-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2.
What are the key properties of 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine?
2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine has a molecular weight of 411.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine is sourced from PubChem (CID 110255013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).