4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole

C18H20N4O — CID 126951554

IUPAC4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole
SMILESCc1cncc(N2CCC(Oc3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C18H20N4O/c1-13-11-19-12-18(21-13)22-9-6-14(7-10-22)23-17-4-2-3-16-15(17)5-8-20-16/h2-5,8,11-12,14,20H,6-7,9-10H2,1H3
InChIKeyWARFYJWDJWXRAV-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.31
Rot. Bonds3

About 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole

4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole (PubChem CID 126951554) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole
PubChem CID126951554
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole
SMILESCc1cncc(N2CCC(Oc3cccc4[nH]ccc34)CC2)n1
InChIInChI=1S/C18H20N4O/c1-13-11-19-12-18(21-13)22-9-6-14(7-10-22)23-17-4-2-3-16-15(17)5-8-20-16/h2-5,8,11-12,14,20H,6-7,9-10H2,1H3
InChIKeyWARFYJWDJWXRAV-UHFFFAOYSA-N
XLogP3.31
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 126951772
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126951449
4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole
CID 126951558
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole (CID 126951554) is 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole is Cc1cncc(N2CCC(Oc3cccc4[nH]ccc34)CC2)n1.
What is the InChIKey of 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole?
The InChIKey is WARFYJWDJWXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-11-19-12-18(21-13)22-9-6-14(7-10-22)23-17-4-2-3-16-15(17)5-8-20-16/h2-5,8,11-12,14,20H,6-7,9-10H2,1H3.
What are the key properties of 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole?
4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole has a molecular weight of 308.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 126951554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).