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

C15H21N3O — CID 108905426

IUPAC4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide
SMILESCc1cccc(/C=C/NC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H21N3O/c1-13-4-3-5-14(12-13)6-7-16-15(19)18-10-8-17(2)9-11-18/h3-7,12H,8-11H2,1-2H3,(H,16,19)/b7-6+
InChIKeyUOHJUUQEFITIAD-VOTSOKGWSA-N
MW259.35 g/mol
LogP1.92
Rot. Bonds2

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

4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide (PubChem CID 108905426) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide
PubChem CID108905426
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide
SMILESCc1cccc(/C=C/NC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H21N3O/c1-13-4-3-5-14(12-13)6-7-16-15(19)18-10-8-17(2)9-11-18/h3-7,12H,8-11H2,1-2H3,(H,16,19)/b7-6+
InChIKeyUOHJUUQEFITIAD-VOTSOKGWSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-(3-methylphenyl)ethenyl]azepane-1-carboxamide
CID 108905455
N-[(E)-2-(3-methylphenyl)ethenyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108905663
methyl 4-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoyl]piperazine-1-carboxylate
CID 108906785
4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907438
(E)-3-(3-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]prop-2-enamide
CID 55708952
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905964
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108905963
N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108911886
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108905514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide (CID 108905426) is 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide is Cc1cccc(/C=C/NC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide?
The InChIKey is UOHJUUQEFITIAD-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13-4-3-5-14(12-13)6-7-16-15(19)18-10-8-17(2)9-11-18/h3-7,12H,8-11H2,1-2H3,(H,16,19)/b7-6+.
What are the key properties of 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide?
4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-2-(3-methylphenyl)ethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108905426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).