1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone

C23H28N2O — CID 90567156

IUPAC1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C3CC3)CC2Cc2ccccc2)c1
InChIInChI=1S/C23H28N2O/c1-18-6-5-9-20(14-18)16-23(26)25-13-12-24(21-10-11-21)17-22(25)15-19-7-3-2-4-8-19/h2-9,14,21-22H,10-13,15-17H2,1H3
InChIKeyDDYDQBAQOLWSLI-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone

1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone (PubChem CID 90567156) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
PubChem CID90567156
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C3CC3)CC2Cc2ccccc2)c1
InChIInChI=1S/C23H28N2O/c1-18-6-5-9-20(14-18)16-23(26)25-13-12-24(21-10-11-21)17-22(25)15-19-7-3-2-4-8-19/h2-9,14,21-22H,10-13,15-17H2,1H3
InChIKeyDDYDQBAQOLWSLI-UHFFFAOYSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97040917
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90567225
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 90567212
(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 90567211
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 90567197
2-[4-(2-benzyl-4-cyclopropylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 90567247
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79548752
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 79540297

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone (CID 90567156) is 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCN(C3CC3)CC2Cc2ccccc2)c1.
What is the InChIKey of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is DDYDQBAQOLWSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18-6-5-9-20(14-18)16-23(26)25-13-12-24(21-10-11-21)17-22(25)15-19-7-3-2-4-8-19/h2-9,14,21-22H,10-13,15-17H2,1H3.
What are the key properties of 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone?
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 348.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 90567156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).