2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C24H24FN3O3 — CID 110255416

IUPAC2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2cncc(C3CCCN(C(=O)COc4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C24H24FN3O3/c1-30-21-6-2-4-17(12-21)22-13-26-14-23(27-22)18-5-3-11-28(15-18)24(29)16-31-20-9-7-19(25)8-10-20/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3
InChIKeyRBTKCBKCQVYBJA-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110255416) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110255416
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2cncc(C3CCCN(C(=O)COc4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C24H24FN3O3/c1-30-21-6-2-4-17(12-21)22-13-26-14-23(27-22)18-5-3-11-28(15-18)24(29)16-31-20-9-7-19(25)8-10-20/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3
InChIKeyRBTKCBKCQVYBJA-UHFFFAOYSA-N
XLogP4.08
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819824
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819896
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95819712
1-[(3R)-3-[6-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95819716
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95809691
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110255416) is 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1cccc(-c2cncc(C3CCCN(C(=O)COc4ccc(F)cc4)C3)n2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is RBTKCBKCQVYBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-30-21-6-2-4-17(12-21)22-13-26-14-23(27-22)18-5-3-11-28(15-18)24(29)16-31-20-9-7-19(25)8-10-20/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 421.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110255416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).