5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate

C26H31N3O3 — CID 3086132

IUPAC5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate
SMILESCC(=O)[O-].Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C24H27N3O.C2H4O2/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;1-2(3)4/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H3,(H,3,4)
InChIKeyKCZFREYKTLNWQR-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.33
Rot. Bonds3

About 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate

5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate (PubChem CID 3086132) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate.

Molecular Properties

Compound Name5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate
PubChem CID3086132
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate
SMILESCC(=O)[O-].Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C24H27N3O.C2H4O2/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;1-2(3)4/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H3,(H,3,4)
InChIKeyKCZFREYKTLNWQR-UHFFFAOYSA-N
XLogP3.33
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate?
The IUPAC name of 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate (CID 3086132) is 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate.
What is the SMILES notation for 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate?
The canonical SMILES for 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate is CC(=O)[O-].Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c2c1[nH]c1ccc(O)cc12.
What is the InChIKey of 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate?
The InChIKey is KCZFREYKTLNWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.C2H4O2/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24;1-2(3)4/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3;1H3,(H,3,4).
What are the key properties of 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate?
5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate has a molecular weight of 433.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol acetate is sourced from PubChem (CID 3086132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).