1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride

C22H28ClN3O — CID 122483255

IUPAC1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
SMILESCN1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl
InChIInChI=1S/C22H27N3O.ClH/c1-23-14-16-24(17-15-23)13-7-6-12-22(26)25-20-10-4-2-8-18(20)19-9-3-5-11-21(19)25;/h2-5,8-11H,6-7,12-17H2,1H3;1H
InChIKeyAVCASKHKFRXAEH-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.27
Rot. Bonds5

About 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride

1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride (PubChem CID 122483255) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
PubChem CID122483255
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
SMILESCN1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl
InChIInChI=1S/C22H27N3O.ClH/c1-23-14-16-24(17-15-23)13-7-6-12-22(26)25-20-10-4-2-8-18(20)19-9-3-5-11-21(19)25;/h2-5,8-11H,6-7,12-17H2,1H3;1H
InChIKeyAVCASKHKFRXAEH-UHFFFAOYSA-N
XLogP4.27
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.27
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;hydrochloride
CID 122483225
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one
CID 122483226
1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
CID 122483263
6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
CID 122483222
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
1-carbazol-9-yl-2-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 44782279
1-carbazol-9-yl-2-piperidin-1-ylethanone
CID 3510891
11-[6-(4-methylpiperazin-1-yl)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one;hydrate;hydrochloride
CID 110168887
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
CID 87608449

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride (CID 122483255) is 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride is CN1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl.
What is the InChIKey of 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is AVCASKHKFRXAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.ClH/c1-23-14-16-24(17-15-23)13-7-6-12-22(26)25-20-10-4-2-8-18(20)19-9-3-5-11-21(19)25;/h2-5,8-11H,6-7,12-17H2,1H3;1H.
What are the key properties of 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 122483255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).