5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride

C23H28ClN3O2 — CID 122483225

IUPAC5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
SMILESCC(=O)N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-18(27)25-16-14-24(15-17-25)13-7-6-12-23(28)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26;/h2-5,8-11H,6-7,12-17H2,1H3;1H
InChIKeySAQZYOPCAXFWAJ-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.19
Rot. Bonds5

About 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride

5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride (PubChem CID 122483225) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
PubChem CID122483225
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
SMILESCC(=O)N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-18(27)25-16-14-24(15-17-25)13-7-6-12-23(28)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26;/h2-5,8-11H,6-7,12-17H2,1H3;1H
InChIKeySAQZYOPCAXFWAJ-UHFFFAOYSA-N
XLogP4.19
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one
CID 122483226
6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
CID 122483222
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255
1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
CID 122483263
5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483259
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
1-carbazol-9-yl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 122483254
5-bromo-1-carbazol-9-ylpentan-1-one
CID 122483241
6-bromo-1-carbazol-9-ylhexan-1-one
CID 122483233
6-(4-acetyl-1,4-diazepan-1-yl)hexan-2-one
CID 55003112
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
1-carbazol-9-yl-2-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 44782279

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride (CID 122483225) is 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride is CC(=O)N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
The InChIKey is SAQZYOPCAXFWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.ClH/c1-18(27)25-16-14-24(15-17-25)13-7-6-12-23(28)26-21-10-4-2-8-19(21)20-9-3-5-11-22(20)26;/h2-5,8-11H,6-7,12-17H2,1H3;1H.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 122483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).