1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one

C20H25N3O — CID 90460250

IUPAC1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN3CCCCC3)c12
InChIInChI=1S/C20H25N3O/c1-14(13-22-10-4-3-5-11-22)23-19-12-16(24)6-7-17(19)18-8-9-21-15(2)20(18)23/h6-9,12,14,21H,3-5,10-11,13H2,1-2H3
InChIKeyINKONUJCVPEATH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.84
Rot. Bonds3

About 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one

1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one (PubChem CID 90460250) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one
PubChem CID90460250
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN3CCCCC3)c12
InChIInChI=1S/C20H25N3O/c1-14(13-22-10-4-3-5-11-22)23-19-12-16(24)6-7-17(19)18-8-9-21-15(2)20(18)23/h6-9,12,14,21H,3-5,10-11,13H2,1-2H3
InChIKeyINKONUJCVPEATH-UHFFFAOYSA-N
XLogP3.84
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one?
The IUPAC name of 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one (CID 90460250) is 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one.
What is the SMILES notation for 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one?
The canonical SMILES for 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one is Cc1[nH]ccc2c3ccc(=O)cc3n(C(C)CN3CCCCC3)c12.
What is the InChIKey of 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one?
The InChIKey is INKONUJCVPEATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(13-22-10-4-3-5-11-22)23-19-12-16(24)6-7-17(19)18-8-9-21-15(2)20(18)23/h6-9,12,14,21H,3-5,10-11,13H2,1-2H3.
What are the key properties of 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one?
1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one has a molecular weight of 323.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one is sourced from PubChem (CID 90460250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).