9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one

C20H26N2O — CID 25269237

IUPAC9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one
SMILESCC1CCN(CC2CCc3c(n(C)c4ccccc34)C2=O)CC1
InChIInChI=1S/C20H26N2O/c1-14-9-11-22(12-10-14)13-15-7-8-17-16-5-3-4-6-18(16)21(2)19(17)20(15)23/h3-6,14-15H,7-13H2,1-2H3
InChIKeyQILVLRFNYJVQRH-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.66
Rot. Bonds2

About 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one

9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one (PubChem CID 25269237) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one
PubChem CID25269237
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one
SMILESCC1CCN(CC2CCc3c(n(C)c4ccccc34)C2=O)CC1
InChIInChI=1S/C20H26N2O/c1-14-9-11-22(12-10-14)13-15-7-8-17-16-5-3-4-6-18(16)21(2)19(17)20(15)23/h3-6,14-15H,7-13H2,1-2H3
InChIKeyQILVLRFNYJVQRH-UHFFFAOYSA-N
XLogP3.66
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.66
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-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one (CID 25269237) is 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one is CC1CCN(CC2CCc3c(n(C)c4ccccc34)C2=O)CC1.
What is the InChIKey of 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is QILVLRFNYJVQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-9-11-22(12-10-14)13-15-7-8-17-16-5-3-4-6-18(16)21(2)19(17)20(15)23/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one?
9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 310.44 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 25269237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).