1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one

C18H21N3O — CID 135393714

IUPAC1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c1[nH]c1c(CN3CCCCC3)c(=O)ccc12
InChIInChI=1S/C18H21N3O/c1-12-17-14(7-8-19-12)13-5-6-16(22)15(18(13)20-17)11-21-9-3-2-4-10-21/h5-8,19-20H,2-4,9-11H2,1H3
InChIKeyJTEUGUNDGLMASP-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.30
Rot. Bonds2

About 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one

1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one (PubChem CID 135393714) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one
PubChem CID135393714
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c1[nH]c1c(CN3CCCCC3)c(=O)ccc12
InChIInChI=1S/C18H21N3O/c1-12-17-14(7-8-19-12)13-5-6-16(22)15(18(13)20-17)11-21-9-3-2-4-10-21/h5-8,19-20H,2-4,9-11H2,1H3
InChIKeyJTEUGUNDGLMASP-UHFFFAOYSA-N
XLogP3.30
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?
The IUPAC name of 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one (CID 135393714) is 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one.
What is the SMILES notation for 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?
The canonical SMILES for 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one is Cc1[nH]ccc2c1[nH]c1c(CN3CCCCC3)c(=O)ccc12.
What is the InChIKey of 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?
The InChIKey is JTEUGUNDGLMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-17-14(7-8-19-12)13-5-6-16(22)15(18(13)20-17)11-21-9-3-2-4-10-21/h5-8,19-20H,2-4,9-11H2,1H3.
What are the key properties of 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one?
1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one has a molecular weight of 295.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(piperidin-1-ylmethyl)-2,9-dihydropyrido[3,4-b]indol-7-one is sourced from PubChem (CID 135393714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).