1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone

C19H21F2N3O2 — CID 22248325

IUPAC1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone
SMILESCOc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H21F2N3O2/c1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20/h2-5,11,13H,6-10,12H2,1H3
InChIKeyXQALOXPLROWVRL-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.79
Rot. Bonds6

About 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone

1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 22248325) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone
PubChem CID22248325
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone
SMILESCOc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H21F2N3O2/c1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20/h2-5,11,13H,6-10,12H2,1H3
InChIKeyXQALOXPLROWVRL-UHFFFAOYSA-N
XLogP2.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone with MolForge

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Related Compounds

2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
CID 22248265
3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248546
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424476
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
CID 22248253
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone (CID 22248325) is 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone is COc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is XQALOXPLROWVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20/h2-5,11,13H,6-10,12H2,1H3.
What are the key properties of 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone?
1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 361.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 22248325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).