N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide

C17H27FN4O — CID 90649232

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NCC1CN(C)CCN1C)Cc1ccccc1F
InChIInChI=1S/C17H27FN4O/c1-20-8-9-22(3)15(12-20)10-19-17(23)13-21(2)11-14-6-4-5-7-16(14)18/h4-7,15H,8-13H2,1-3H3,(H,19,23)
InChIKeyBMVXFLLDLSQANM-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.62
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 90649232) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID90649232
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NCC1CN(C)CCN1C)Cc1ccccc1F
InChIInChI=1S/C17H27FN4O/c1-20-8-9-22(3)15(12-20)10-19-17(23)13-21(2)11-14-6-4-5-7-16(14)18/h4-7,15H,8-13H2,1-3H3,(H,19,23)
InChIKeyBMVXFLLDLSQANM-UHFFFAOYSA-N
XLogP0.62
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 118766740
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111831282
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide
CID 71980227
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
CID 126449025
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569
2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013271
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 90649232) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NCC1CN(C)CCN1C)Cc1ccccc1F.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is BMVXFLLDLSQANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-20-8-9-22(3)15(12-20)10-19-17(23)13-21(2)11-14-6-4-5-7-16(14)18/h4-7,15H,8-13H2,1-3H3,(H,19,23).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 322.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 90649232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).