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

C21H26N2O — CID 69203034

IUPAC1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(C(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-8-10-20(11-9-17)21(24)16-22-12-14-23(15-13-22)18(2)19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3
InChIKeyUJJIPXDKUWXQDE-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.56
Rot. Bonds5

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

1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 69203034) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone
PubChem CID69203034
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(C(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-8-10-20(11-9-17)21(24)16-22-12-14-23(15-13-22)18(2)19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3
InChIKeyUJJIPXDKUWXQDE-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-[4-[1-(4-nitrophenyl)ethyl]piperazin-1-yl]ethanone;hydrochloride
CID 141035647
2-[4-(1-phenylethyl)piperazin-1-yl]-1-thiophen-3-ylethanone
CID 59382020
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
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
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
phenyl 4-[2-(4-methylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366380
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
N-[(4-methylphenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
CID 3505401

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone (CID 69203034) is 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone is Cc1ccc(C(=O)CN2CCN(C(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is UJJIPXDKUWXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-8-10-20(11-9-17)21(24)16-22-12-14-23(15-13-22)18(2)19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone?
1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 322.45 g/mol, XLogP of 3.56, 5 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-(1-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 69203034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).