1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one

C24H32N2O — CID 78042643

IUPAC1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(CCC(=O)N2CCN(Cc3ccccc3)CC2C)c(C)c1
InChIInChI=1S/C24H32N2O/c1-18-14-19(2)23(20(3)15-18)10-11-24(27)26-13-12-25(16-21(26)4)17-22-8-6-5-7-9-22/h5-9,14-15,21H,10-13,16-17H2,1-4H3
InChIKeyKWWSIGOFKDKNPZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one

1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 78042643) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID78042643
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(CCC(=O)N2CCN(Cc3ccccc3)CC2C)c(C)c1
InChIInChI=1S/C24H32N2O/c1-18-14-19(2)23(20(3)15-18)10-11-24(27)26-13-12-25(16-21(26)4)17-22-8-6-5-7-9-22/h5-9,14-15,21H,10-13,16-17H2,1-4H3
InChIKeyKWWSIGOFKDKNPZ-UHFFFAOYSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one
CID 86944671
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 75467674
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
1-[4-[(5-chloro-2-hydroxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 77185796
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 59950679
(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169115361
3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 167811788
1-(4-benzyl-7-methyl-1,4-diazepan-1-yl)-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 136512997

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one (CID 78042643) is 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(CCC(=O)N2CCN(Cc3ccccc3)CC2C)c(C)c1.
What is the InChIKey of 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is KWWSIGOFKDKNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-18-14-19(2)23(20(3)15-18)10-11-24(27)26-13-12-25(16-21(26)4)17-22-8-6-5-7-9-22/h5-9,14-15,21H,10-13,16-17H2,1-4H3.
What are the key properties of 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one?
1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 364.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 78042643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).