1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride

C27H30ClN3O2 — CID 122483274

IUPAC1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCl.O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C27H29N3O2.ClH/c31-26-14-6-5-13-25(26)29-19-17-28(18-20-29)16-8-7-15-27(32)30-23-11-3-1-9-21(23)22-10-2-4-12-24(22)30;/h1-6,9-14,31H,7-8,15-20H2;1H
InChIKeyHOTMQGRIKYVWCR-UHFFFAOYSA-N
MW464.01 g/mol
LogP5.55
Rot. Bonds6

About 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride

1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 122483274) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID122483274
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC Name1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCl.O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C27H29N3O2.ClH/c31-26-14-6-5-13-25(26)29-19-17-28(18-20-29)16-8-7-15-27(32)30-23-11-3-1-9-21(23)22-10-2-4-12-24(22)30;/h1-6,9-14,31H,7-8,15-20H2;1H
InChIKeyHOTMQGRIKYVWCR-UHFFFAOYSA-N
XLogP5.55
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride 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 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 122483274) is 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride is Cl.O=C(CCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is HOTMQGRIKYVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2.ClH/c31-26-14-6-5-13-25(26)29-19-17-28(18-20-29)16-8-7-15-27(32)30-23-11-3-1-9-21(23)22-10-2-4-12-24(22)30;/h1-6,9-14,31H,7-8,15-20H2;1H.
What are the key properties of 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride?
1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 464.01 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-5-[4-(2-hydroxyphenyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 122483274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).