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

C22H28ClN3O2 — CID 108907825

IUPAC4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
SMILESCOc1ccc(/C=C/NC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-17-5-4-6-21(18(17)2)24-13-15-25(16-14-24)22(26)23-12-11-19-7-9-20(27-3)10-8-19;/h4-12H,13-16H2,1-3H3,(H,23,26);1H/b12-11+;
InChIKeyUMUMQAUBSABDQE-CALJPSDSSA-N
MW401.94 g/mol
LogP4.24
Rot. Bonds4

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

4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 108907825) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
PubChem CID108907825
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
SMILESCOc1ccc(/C=C/NC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-17-5-4-6-21(18(17)2)24-13-15-25(16-14-24)22(26)23-12-11-19-7-9-20(27-3)10-8-19;/h4-12H,13-16H2,1-3H3,(H,23,26);1H/b12-11+;
InChIKeyUMUMQAUBSABDQE-CALJPSDSSA-N
XLogP4.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108903729
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108908901
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one
CID 2509747
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methylamino]ethanone
CID 108998529
4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
CID 108913341
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108915580
N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40652874
2-(2,4-dimethoxyanilino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004267

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride (CID 108907825) is 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride is COc1ccc(/C=C/NC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.Cl.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is UMUMQAUBSABDQE-CALJPSDSSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-17-5-4-6-21(18(17)2)24-13-15-25(16-14-24)22(26)23-12-11-19-7-9-20(27-3)10-8-19;/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-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108907825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).