9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one

C20H27N3O2 — CID 3154656

IUPAC9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
SMILESCN1CCc2c(n(CC(O)CN3CCCCC3)c3ccccc23)C1=O
InChIInChI=1S/C20H27N3O2/c1-21-12-9-17-16-7-3-4-8-18(16)23(19(17)20(21)25)14-15(24)13-22-10-5-2-6-11-22/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3
InChIKeyVSYADFFFVQHHES-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.12
Rot. Bonds4

About 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one

9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one (PubChem CID 3154656) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
PubChem CID3154656
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
SMILESCN1CCc2c(n(CC(O)CN3CCCCC3)c3ccccc23)C1=O
InChIInChI=1S/C20H27N3O2/c1-21-12-9-17-16-7-3-4-8-18(16)23(19(17)20(21)25)14-15(24)13-22-10-5-2-6-11-22/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3
InChIKeyVSYADFFFVQHHES-UHFFFAOYSA-N
XLogP2.12
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
The IUPAC name of 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one (CID 3154656) is 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one is CN1CCc2c(n(CC(O)CN3CCCCC3)c3ccccc23)C1=O.
What is the InChIKey of 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
The InChIKey is VSYADFFFVQHHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-21-12-9-17-16-7-3-4-8-18(16)23(19(17)20(21)25)14-15(24)13-22-10-5-2-6-11-22/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3.
What are the key properties of 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one has a molecular weight of 341.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 3154656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).