1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride

C24H34ClN3O3 — CID 69440985

IUPAC1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
SMILESCC1=C(C)C(=O)N(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)C1=O.Cl
InChIInChI=1S/C24H33N3O3.ClH/c1-18-19(2)24(29)27(23(18)28)13-7-12-25-14-16-26(17-15-25)21-10-5-6-11-22(21)30-20-8-3-4-9-20;/h5-6,10-11,20H,3-4,7-9,12-17H2,1-2H3;1H
InChIKeyJIGDWTFOFYWPTP-UHFFFAOYSA-N
MW448.01 g/mol
LogP3.65
Rot. Bonds7

About 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride

1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride (PubChem CID 69440985) has the molecular formula C24H34ClN3O3 and a molecular weight of 448.01 g/mol. Its IUPAC name is 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
PubChem CID69440985
Molecular FormulaC24H34ClN3O3
Molecular Weight448.01 g/mol
Exact Mass447.23
IUPAC Name1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
SMILESCC1=C(C)C(=O)N(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)C1=O.Cl
InChIInChI=1S/C24H33N3O3.ClH/c1-18-19(2)24(29)27(23(18)28)13-7-12-25-14-16-26(17-15-25)21-10-5-6-11-22(21)30-20-8-3-4-9-20;/h5-6,10-11,20H,3-4,7-9,12-17H2,1-2H3;1H
InChIKeyJIGDWTFOFYWPTP-UHFFFAOYSA-N
XLogP3.65
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 69078029
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-5-fluoro-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11691378
3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69432939
[7-acetyloxy-2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate
CID 11555810
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
CID 91082184
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11539770
2-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;hydrochloride
CID 52941712
1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-diol
CID 90924333
but-2-enedioic acid;2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 69408070

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride (CID 69440985) is 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride is CC1=C(C)C(=O)N(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)C1=O.Cl.
What is the InChIKey of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride?
The InChIKey is JIGDWTFOFYWPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3.ClH/c1-18-19(2)24(29)27(23(18)28)13-7-12-25-14-16-26(17-15-25)21-10-5-6-11-22(21)30-20-8-3-4-9-20;/h5-6,10-11,20H,3-4,7-9,12-17H2,1-2H3;1H.
What are the key properties of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride?
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride has a molecular weight of 448.01 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 69440985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).