3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one

C18H22N4O3 — CID 95843757

IUPAC3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-10-6-18(23)22-8-4-14(5-9-22)16-12-20-13-17(21-16)25-15-3-2-7-19-11-15/h2-3,7,11-14H,4-6,8-10H2,1H3
InChIKeyMOCXMZVFVBLSFU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.41
Rot. Bonds6

About 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one

3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95843757) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95843757
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-10-6-18(23)22-8-4-14(5-9-22)16-12-20-13-17(21-16)25-15-3-2-7-19-11-15/h2-3,7,11-14H,4-6,8-10H2,1H3
InChIKeyMOCXMZVFVBLSFU-UHFFFAOYSA-N
XLogP2.41
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
1-(3-methoxypropanoyl)-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide
CID 24790724
1-[2-(4-Benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 127039739
Ethyl 4-((4-(3-methoxypyridin-2-yl)piperidin-1-yl)methyl)piperidine-1-carboxylate
CID 155518790
[(3S)-3-[[1-(6-methoxy-5-methyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 89661328
US11045457, Example 52
CID 146423523
1-Methyl-3-(pyridin-3-yloxymethyl)quinoxalin-2-one
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4-[(2-methyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 50950974
N-[2-(acetylamino)ethyl]-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxamide
CID 50959560
N-(2-anilinoethyl)-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxamide
CID 50960614
4-[(2-methylpyridin-3-yl)oxy]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 50963165

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one (CID 95843757) is 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1.
What is the InChIKey of 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MOCXMZVFVBLSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-10-6-18(23)22-8-4-14(5-9-22)16-12-20-13-17(21-16)25-15-3-2-7-19-11-15/h2-3,7,11-14H,4-6,8-10H2,1H3.
What are the key properties of 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95843757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).