4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride

C22H28ClN3O — CID 108903729

IUPAC4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
SMILESCc1ccccc1/C=C/NC(=O)N1CCN(c2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C22H27N3O.ClH/c1-17-8-6-10-21(19(17)3)24-13-15-25(16-14-24)22(26)23-12-11-20-9-5-4-7-18(20)2;/h4-12H,13-16H2,1-3H3,(H,23,26);1H/b12-11+;
InChIKeyQDGNKQJMMWZXLA-CALJPSDSSA-N
MW385.94 g/mol
LogP4.54
Rot. Bonds3

About 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride

4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 108903729) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
PubChem CID108903729
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
SMILESCc1ccccc1/C=C/NC(=O)N1CCN(c2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C22H27N3O.ClH/c1-17-8-6-10-21(19(17)3)24-13-15-25(16-14-24)22(26)23-12-11-20-9-5-4-7-18(20)2;/h4-12H,13-16H2,1-3H3,(H,23,26);1H/b12-11+;
InChIKeyQDGNKQJMMWZXLA-CALJPSDSSA-N
XLogP4.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108907825
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108905963
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905964
4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
CID 108913341
N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
CID 51113389
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108915580
N-[(E)-2-(2-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108905179
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944716
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
4-(2,3-dimethylphenyl)-N-thiophen-2-ylpiperazine-1-carboxamide;hydrochloride
CID 108889235

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride (CID 108903729) is 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride is Cc1ccccc1/C=C/NC(=O)N1CCN(c2cccc(C)c2C)CC1.Cl.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is QDGNKQJMMWZXLA-CALJPSDSSA-N. The full InChI is InChI=1S/C22H27N3O.ClH/c1-17-8-6-10-21(19(17)3)24-13-15-25(16-14-24)22(26)23-12-11-20-9-5-4-7-18(20)2;/h4-12H,13-16H2,1-3H3,(H,23,26);1H/b12-11+;.
What are the key properties of 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108903729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).