2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide

C17H27N3O — CID 64980755

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC1CN(CC(=O)N(C)C(C)c2ccccc2)C(C)CN1
InChIInChI=1S/C17H27N3O/c1-13-11-20(14(2)10-18-13)12-17(21)19(4)15(3)16-8-6-5-7-9-16/h5-9,13-15,18H,10-12H2,1-4H3
InChIKeyDNFXCFJIBVLLSE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.89
Rot. Bonds4

About 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide

2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 64980755) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID64980755
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC1CN(CC(=O)N(C)C(C)c2ccccc2)C(C)CN1
InChIInChI=1S/C17H27N3O/c1-13-11-20(14(2)10-18-13)12-17(21)19(4)15(3)16-8-6-5-7-9-16/h5-9,13-15,18H,10-12H2,1-4H3
InChIKeyDNFXCFJIBVLLSE-UHFFFAOYSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64980761
2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide
CID 64980824
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 64980524
N-methyl-N-(1-phenylethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 56809949
2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 64980495
N-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 94424196
N-methyl-2-[[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8772476
2-(2,5-dimethylpiperazin-1-yl)-1,1-diphenylethanol
CID 23739258
(2R)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689630
(2S)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689638

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide (CID 64980755) is 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide is CC1CN(CC(=O)N(C)C(C)c2ccccc2)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is DNFXCFJIBVLLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-11-20(14(2)10-18-13)12-17(21)19(4)15(3)16-8-6-5-7-9-16/h5-9,13-15,18H,10-12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 64980755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).