2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C16H24FN3O — CID 64980761

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)Cc2ccccc2F)C(C)CN1
InChIInChI=1S/C16H24FN3O/c1-12-9-20(13(2)8-18-12)11-16(21)19(3)10-14-6-4-5-7-15(14)17/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyQBLSXQZRAORSDD-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.47
Rot. Bonds4

About 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 64980761) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID64980761
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)Cc2ccccc2F)C(C)CN1
InChIInChI=1S/C16H24FN3O/c1-12-9-20(13(2)8-18-12)11-16(21)19(3)10-14-6-4-5-7-15(14)17/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyQBLSXQZRAORSDD-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
CID 64980755
2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide
CID 64980824
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563
N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756417
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 86932561
N-[(2-fluorophenyl)methyl]-N-methyl-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 60505355
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 129492114
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997
N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178036
N-[(2-bromophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975216
N-[(2-fluorophenyl)methyl]-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62654574

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 64980761) is 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CC1CN(CC(=O)N(C)Cc2ccccc2F)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is QBLSXQZRAORSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12-9-20(13(2)8-18-12)11-16(21)19(3)10-14-6-4-5-7-15(14)17/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 293.39 g/mol, XLogP of 1.47, 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-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 64980761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).