[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride

C24H29ClN2O3 — CID 120740396

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CC2c2ccc3c(c2)OCCO3)cc1.Cl
InChIInChI=1S/C24H28N2O3.ClH/c1-2-16-3-5-17(6-4-16)21-15-25-9-10-26(21)24(27)20-14-19(20)18-7-8-22-23(13-18)29-12-11-28-22;/h3-8,13,19-21,25H,2,9-12,14-15H2,1H3;1H
InChIKeyRQTHYDSHJCGPCG-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.72
Rot. Bonds4

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120740396) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120740396
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CC2c2ccc3c(c2)OCCO3)cc1.Cl
InChIInChI=1S/C24H28N2O3.ClH/c1-2-16-3-5-17(6-4-16)21-15-25-9-10-26(21)24(27)20-14-19(20)18-7-8-22-23(13-18)29-12-11-28-22;/h3-8,13,19-21,25H,2,9-12,14-15H2,1H3;1H
InChIKeyRQTHYDSHJCGPCG-UHFFFAOYSA-N
XLogP3.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;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-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736182
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757864
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453757
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120740396) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C2CC2c2ccc3c(c2)OCCO3)cc1.Cl.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is RQTHYDSHJCGPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.ClH/c1-2-16-3-5-17(6-4-16)21-15-25-9-10-26(21)24(27)20-14-19(20)18-7-8-22-23(13-18)29-12-11-28-22;/h3-8,13,19-21,25H,2,9-12,14-15H2,1H3;1H.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120740396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).