1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one

C22H28N2O — CID 59950679

IUPAC1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)C(C)CN1Cc1ccccc1
InChIInChI=1S/C22H28N2O/c1-18-16-24(22(25)14-13-20-9-5-3-6-10-20)19(2)15-23(18)17-21-11-7-4-8-12-21/h3-12,18-19H,13-17H2,1-2H3
InChIKeyWIGLTNQNCQIZOR-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.74
Rot. Bonds5

About 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one

1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 59950679) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID59950679
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)C(C)CN1Cc1ccccc1
InChIInChI=1S/C22H28N2O/c1-18-16-24(22(25)14-13-20-9-5-3-6-10-20)19(2)15-23(18)17-21-11-7-4-8-12-21/h3-12,18-19H,13-17H2,1-2H3
InChIKeyWIGLTNQNCQIZOR-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
CID 21043697
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone
CID 23405849
azanide;1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one;carbanide;yttrium(3+)
CID 21043705
1-[2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-3-phenylpropan-1-one
CID 54267041
1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-phenylmethoxyphenoxy)ethanone
CID 54489131
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113
1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 22264756
methyl (2R,5R)-2,4-dibenzyl-5-methylpiperazine-1-carboxylate
CID 68690521
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
1-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-sulfanylphenoxy)ethanone
CID 69298429
methyl 3-[2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoate
CID 54168573
2-(4-anilinophenoxy)-1-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 69299224

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one (CID 59950679) is 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one is CC1CN(C(=O)CCc2ccccc2)C(C)CN1Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is WIGLTNQNCQIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-16-24(22(25)14-13-20-9-5-3-6-10-20)19(2)15-23(18)17-21-11-7-4-8-12-21/h3-12,18-19H,13-17H2,1-2H3.
What are the key properties of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one?
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 59950679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).