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

C22H28ClN3O2 — CID 108905963

IUPAC4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
SMILESCOc1cccc(/C=C/NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-17-6-4-9-21(18(17)2)24-12-14-25(15-13-24)22(26)23-11-10-19-7-5-8-20(16-19)27-3;/h4-11,16H,12-15H2,1-3H3,(H,23,26);1H/b11-10+;
InChIKeyZFYFUUAJBZUUQB-ASTDGNLGSA-N
MW401.94 g/mol
LogP4.24
Rot. Bonds4

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

4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 108905963) 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-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
PubChem CID108905963
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
SMILESCOc1cccc(/C=C/NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-17-6-4-9-21(18(17)2)24-12-14-25(15-13-24)22(26)23-11-10-19-7-5-8-20(16-19)27-3;/h4-11,16H,12-15H2,1-3H3,(H,23,26);1H/b11-10+;
InChIKeyZFYFUUAJBZUUQB-ASTDGNLGSA-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
CID 108905964
4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108907825
4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108903729
N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905995
4-(furan-2-carbonyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905984
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108915580
2-(2,4-dimethoxyanilino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004267
(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one
CID 9155205
4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
CID 108913341
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
3-(3,5-dimethoxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708471
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride (CID 108905963) is 4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride is COc1cccc(/C=C/NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1.Cl.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is ZFYFUUAJBZUUQB-ASTDGNLGSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-17-6-4-9-21(18(17)2)24-12-14-25(15-13-24)22(26)23-11-10-19-7-5-8-20(16-19)27-3;/h4-11,16H,12-15H2,1-3H3,(H,23,26);1H/b11-10+;.
What are the key properties of 4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride?
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-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-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108905963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).