2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid

C18H19F2N3O3 — CID 121447400

IUPAC2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid
SMILESCOc1cncc(-c2cc(F)c(N3CCC(CC(=O)O)CC3)c(F)c2)n1
InChIInChI=1S/C18H19F2N3O3/c1-26-16-10-21-9-15(22-16)12-7-13(19)18(14(20)8-12)23-4-2-11(3-5-23)6-17(24)25/h7-11H,2-6H2,1H3,(H,24,25)
InChIKeyVPAMFBQMXHVUHX-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.12
Rot. Bonds5

About 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid

2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid (PubChem CID 121447400) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid
PubChem CID121447400
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid
SMILESCOc1cncc(-c2cc(F)c(N3CCC(CC(=O)O)CC3)c(F)c2)n1
InChIInChI=1S/C18H19F2N3O3/c1-26-16-10-21-9-15(22-16)12-7-13(19)18(14(20)8-12)23-4-2-11(3-5-23)6-17(24)25/h7-11H,2-6H2,1H3,(H,24,25)
InChIKeyVPAMFBQMXHVUHX-UHFFFAOYSA-N
XLogP3.12
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(6-cyclopentylpyrazin-2-yl)-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 121447514
2-[1-[4-[6-(cyclopentylmethyl)pyrazin-2-yl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 159744896
2-[1-[4-(6-cyclobutyloxypyrazin-2-yl)-2,6-difluorophenyl]azetidin-3-yl]acetic acid
CID 121447016
2-[1-[2,6-difluoro-4-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]phenyl]piperidin-4-yl]acetic acid
CID 121447123
2-[1-[4-[6-(diethylamino)pyrazin-2-yl]-2,6-difluorophenyl]pyrrolidin-3-yl]acetic acid
CID 121447414
2-[1-[2,6-difluoro-4-[6-(1,2,2-trifluoroethoxy)-2-pyridinyl]phenyl]piperidin-4-yl]acetic acid
CID 175399779
2-[1-[2,6-difluoro-4-[6-(2-methylpropylamino)pyrazin-2-yl]phenyl]pyrrolidin-3-yl]acetic acid
CID 121447147
2-[1-[4-(6-cyclobutyl-2-pyridinyl)-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 121447437
2-[1-[2,6-difluoro-4-[4-(2-methylpropyl)pyrimidin-2-yl]phenyl]piperidin-4-yl]acetic acid
CID 121447328
2-[1-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluorophenyl]azetidin-3-yl]acetic acid
CID 121447394
2-[1-[2,6-difluoro-4-[5-fluoro-4-(2-methylpropoxy)pyrimidin-2-yl]phenyl]pyrrolidin-3-yl]acetic acid
CID 121447231
2-[1-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]acetic acid
CID 140821318

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid (CID 121447400) is 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid is COc1cncc(-c2cc(F)c(N3CCC(CC(=O)O)CC3)c(F)c2)n1.
What is the InChIKey of 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid?
The InChIKey is VPAMFBQMXHVUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-26-16-10-21-9-15(22-16)12-7-13(19)18(14(20)8-12)23-4-2-11(3-5-23)6-17(24)25/h7-11H,2-6H2,1H3,(H,24,25).
What are the key properties of 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid?
2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid has a molecular weight of 363.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 121447400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).