(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C21H24N2O — CID 755573

IUPAC(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-18-8-5-6-12-20(18)21(24)23-16-14-22(15-17-23)13-7-11-19-9-3-2-4-10-19/h2-12H,13-17H2,1H3
InChIKeyLZKPHBQQYNQSAE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.47
Rot. Bonds4

About (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 755573) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID755573
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-18-8-5-6-12-20(18)21(24)23-16-14-22(15-17-23)13-7-11-19-9-3-2-4-10-19/h2-12H,13-17H2,1H3
InChIKeyLZKPHBQQYNQSAE-UHFFFAOYSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione
CID 110414418
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
(3-methylthiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 51143710
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167660
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
1,3-dimethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 84557073
4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]fluoren-9-one
CID 23855199
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
2-(2-methylanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004538

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 755573) is (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is LZKPHBQQYNQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-18-8-5-6-12-20(18)21(24)23-16-14-22(15-17-23)13-7-11-19-9-3-2-4-10-19/h2-12H,13-17H2,1H3.
What are the key properties of (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 755573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).