1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone

C20H24N2O — CID 51363194

IUPAC1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-16-3-7-18(8-4-16)20(23)15-21-11-13-22(14-12-21)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3
InChIKeyNXJARCIOCIYEQY-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone

1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 51363194) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
PubChem CID51363194
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-16-3-7-18(8-4-16)20(23)15-21-11-13-22(14-12-21)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3
InChIKeyNXJARCIOCIYEQY-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
CID 782041
1-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 161300230
1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 69203034
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
phenyl 4-[2-(4-methylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366380

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone (CID 51363194) is 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone is Cc1ccc(C(=O)CN2CCN(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is NXJARCIOCIYEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-3-7-18(8-4-16)20(23)15-21-11-13-22(14-12-21)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51363194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).