4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide

C20H22ClN3O — CID 108907438

IUPAC4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
SMILESCc1ccc(/C=C/NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c1-16-5-7-17(8-6-16)9-10-22-20(25)24-13-11-23(12-14-24)19-4-2-3-18(21)15-19/h2-10,15H,11-14H2,1H3,(H,22,25)/b10-9+
InChIKeyUIYUMCXQENHDNJ-MDZDMXLPSA-N
MW355.87 g/mol
LogP4.15
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide (PubChem CID 108907438) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
PubChem CID108907438
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
SMILESCc1ccc(/C=C/NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c1-16-5-7-17(8-6-16)9-10-22-20(25)24-13-11-23(12-14-24)19-4-2-3-18(21)15-19/h2-10,15H,11-14H2,1H3,(H,22,25)/b10-9+
InChIKeyUIYUMCXQENHDNJ-MDZDMXLPSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
methyl 4-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoyl]piperazine-1-carboxylate
CID 108906785
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019
4-(3-chlorophenyl)-N-(4-methylphenyl)piperazine-1-carbothioamide
CID 8627170
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108911886
4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490033
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide (CID 108907438) is 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide is Cc1ccc(/C=C/NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
The InChIKey is UIYUMCXQENHDNJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-16-5-7-17(8-6-16)9-10-22-20(25)24-13-11-23(12-14-24)19-4-2-3-18(21)15-19/h2-10,15H,11-14H2,1H3,(H,22,25)/b10-9+.
What are the key properties of 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108907438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).