9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one

C19H24N2O — CID 25269233

IUPAC9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3ccccc31)CCC(CN1CCCCC1)C2=O
InChIInChI=1S/C19H24N2O/c1-20-17-8-4-3-7-15(17)16-10-9-14(19(22)18(16)20)13-21-11-5-2-6-12-21/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyAGKXQAAHZJSVMK-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.41
Rot. Bonds2

About 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one

9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one (PubChem CID 25269233) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one
PubChem CID25269233
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3ccccc31)CCC(CN1CCCCC1)C2=O
InChIInChI=1S/C19H24N2O/c1-20-17-8-4-3-7-15(17)16-10-9-14(19(22)18(16)20)13-21-11-5-2-6-12-21/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyAGKXQAAHZJSVMK-UHFFFAOYSA-N
XLogP3.41
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one (CID 25269233) is 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one is Cn1c2c(c3ccccc31)CCC(CN1CCCCC1)C2=O.
What is the InChIKey of 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is AGKXQAAHZJSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-17-8-4-3-7-15(17)16-10-9-14(19(22)18(16)20)13-21-11-5-2-6-12-21/h3-4,7-8,14H,2,5-6,9-13H2,1H3.
What are the key properties of 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one?
9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 25269233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).