6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one

C24H29N3O2 — CID 122483222

IUPAC6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
SMILESCC(=O)N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c1-19(28)26-17-15-25(16-18-26)14-8-2-3-13-24(29)27-22-11-6-4-9-20(22)21-10-5-7-12-23(21)27/h4-7,9-12H,2-3,8,13-18H2,1H3
InChIKeyBXSLRXLZCLLPDO-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.16
Rot. Bonds6

About 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one

6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one (PubChem CID 122483222) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
PubChem CID122483222
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
SMILESCC(=O)N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c1-19(28)26-17-15-25(16-18-26)14-8-2-3-13-24(29)27-22-11-6-4-9-20(22)21-10-5-7-12-23(21)27/h4-7,9-12H,2-3,8,13-18H2,1H3
InChIKeyBXSLRXLZCLLPDO-UHFFFAOYSA-N
XLogP4.16
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one 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 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one (CID 122483222) is 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one is CC(=O)N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one?
The InChIKey is BXSLRXLZCLLPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19(28)26-17-15-25(16-18-26)14-8-2-3-13-24(29)27-22-11-6-4-9-20(22)21-10-5-7-12-23(21)27/h4-7,9-12H,2-3,8,13-18H2,1H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one?
6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one has a molecular weight of 391.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one is sourced from PubChem (CID 122483222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).