2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide

C18H22N4O3 — CID 110256243

IUPAC2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESCOc1cccc(Oc2cncc(C3CCCN(CC(N)=O)C3)n2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-2-6-15(8-14)25-18-10-20-9-16(21-18)13-4-3-7-22(11-13)12-17(19)23/h2,5-6,8-10,13H,3-4,7,11-12H2,1H3,(H2,19,23)
InChIKeyZWQNTMLASFXPNO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds6

About 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide

2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide (PubChem CID 110256243) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
PubChem CID110256243
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESCOc1cccc(Oc2cncc(C3CCCN(CC(N)=O)C3)n2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-5-2-6-15(8-14)25-18-10-20-9-16(21-18)13-4-3-7-22(11-13)12-17(19)23/h2,5-6,8-10,13H,3-4,7,11-12H2,1H3,(H2,19,23)
InChIKeyZWQNTMLASFXPNO-UHFFFAOYSA-N
XLogP1.94
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
2-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-6-(3-methoxyphenoxy)pyrazine
CID 124950353
2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124975077
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 110256162
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 129455824
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide (CID 110256243) is 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide is COc1cccc(Oc2cncc(C3CCCN(CC(N)=O)C3)n2)c1.
What is the InChIKey of 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
The InChIKey is ZWQNTMLASFXPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-5-2-6-15(8-14)25-18-10-20-9-16(21-18)13-4-3-7-22(11-13)12-17(19)23/h2,5-6,8-10,13H,3-4,7,11-12H2,1H3,(H2,19,23).
What are the key properties of 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide?
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110256243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).