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

C21H25ClN2O2 — CID 120740500

IUPAC2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2Cc3ccccc3O2)cc1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-2-15-7-9-16(10-8-15)18-14-22-11-12-23(18)21(24)20-13-17-5-3-4-6-19(17)25-20;/h3-10,18,20,22H,2,11-14H2,1H3;1H
InChIKeyVAQRKRBOJIFWAX-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.15
Rot. Bonds3

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

2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120740500) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120740500
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2Cc3ccccc3O2)cc1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-2-15-7-9-16(10-8-15)18-14-22-11-12-23(18)21(24)20-13-17-5-3-4-6-19(17)25-20;/h3-10,18,20,22H,2,11-14H2,1H3;1H
InChIKeyVAQRKRBOJIFWAX-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705558
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120740736
1,3-benzodioxol-4-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120740907
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120741648

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120740500) is 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C2Cc3ccccc3O2)cc1.Cl.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is VAQRKRBOJIFWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c1-2-15-7-9-16(10-8-15)18-14-22-11-12-23(18)21(24)20-13-17-5-3-4-6-19(17)25-20;/h3-10,18,20,22H,2,11-14H2,1H3;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120740500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).