2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

C22H26N4O — CID 146270743

IUPAC2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCOC1CCN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)CC1
InChIInChI=1S/C22H26N4O/c1-27-17-8-11-25(12-9-17)22-7-6-16(14-23-22)26-13-10-19-18-4-2-3-5-20(18)24-21(19)15-26/h2-7,14,17,24H,8-13,15H2,1H3
InChIKeyVSVXGFDDCNTWES-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.74
Rot. Bonds3

About 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 146270743) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID146270743
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCOC1CCN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)CC1
InChIInChI=1S/C22H26N4O/c1-27-17-8-11-25(12-9-17)22-7-6-16(14-23-22)26-13-10-19-18-4-2-3-5-20(18)24-21(19)15-26/h2-7,14,17,24H,8-13,15H2,1H3
InChIKeyVSVXGFDDCNTWES-UHFFFAOYSA-N
XLogP3.74
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol
CID 146270792
5-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.0]hexane
CID 170106175
7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 169026161
4-[6-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
CID 146270747
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141492986
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine
CID 139309113
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol
CID 83131766
2-[6-(azetidin-1-yl)-5-nitropyrimidin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3854937
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 146270743) is 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is COC1CCN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)CC1.
What is the InChIKey of 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is VSVXGFDDCNTWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-17-8-11-25(12-9-17)22-7-6-16(14-23-22)26-13-10-19-18-4-2-3-5-20(18)24-21(19)15-26/h2-7,14,17,24H,8-13,15H2,1H3.
What are the key properties of 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 362.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 146270743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).