4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole

C19H22N4O — CID 126951596

IUPAC4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
SMILESCc1cnc(CN2CCC(Oc3cccc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C19H22N4O/c1-14-11-22-15(12-21-14)13-23-9-6-16(7-10-23)24-19-4-2-3-18-17(19)5-8-20-18/h2-5,8,11-12,16,20H,6-7,9-10,13H2,1H3
InChIKeyAHXUHPWRSWKONO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.31
Rot. Bonds4

About 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole

4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole (PubChem CID 126951596) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
PubChem CID126951596
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
SMILESCc1cnc(CN2CCC(Oc3cccc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C19H22N4O/c1-14-11-22-15(12-21-14)13-23-9-6-16(7-10-23)24-19-4-2-3-18-17(19)5-8-20-18/h2-5,8,11-12,16,20H,6-7,9-10,13H2,1H3
InChIKeyAHXUHPWRSWKONO-UHFFFAOYSA-N
XLogP3.31
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608
2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 126951577
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126951620
6-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 126951563
4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole
CID 126951554
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951530
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole (CID 126951596) is 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole is Cc1cnc(CN2CCC(Oc3cccc4[nH]ccc34)CC2)cn1.
What is the InChIKey of 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole?
The InChIKey is AHXUHPWRSWKONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-11-22-15(12-21-14)13-23-9-6-16(7-10-23)24-19-4-2-3-18-17(19)5-8-20-18/h2-5,8,11-12,16,20H,6-7,9-10,13H2,1H3.
What are the key properties of 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole?
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole has a molecular weight of 322.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 126951596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).