N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide

C18H29N3O2 — CID 56802282

IUPACN-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
SMILESCOCCN1CCN(CC(=O)N(C)Cc2ccccc2)CC1C
InChIInChI=1S/C18H29N3O2/c1-16-13-20(9-10-21(16)11-12-23-3)15-18(22)19(2)14-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
InChIKeyWYIUSQKTSRBMKE-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.30
Rot. Bonds7

About N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide

N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide (PubChem CID 56802282) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
PubChem CID56802282
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
SMILESCOCCN1CCN(CC(=O)N(C)Cc2ccccc2)CC1C
InChIInChI=1S/C18H29N3O2/c1-16-13-20(9-10-21(16)11-12-23-3)15-18(22)19(2)14-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
InChIKeyWYIUSQKTSRBMKE-UHFFFAOYSA-N
XLogP1.30
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778855
1-(4-benzylpiperazin-1-yl)-2-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 86895019
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
N-[(3-fluorophenyl)methyl]-2-[(3S)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 95602098
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 98765571
2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119880268
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95322887

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide (CID 56802282) is N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide is COCCN1CCN(CC(=O)N(C)Cc2ccccc2)CC1C.
What is the InChIKey of N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide?
The InChIKey is WYIUSQKTSRBMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-16-13-20(9-10-21(16)11-12-23-3)15-18(22)19(2)14-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3.
What are the key properties of N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide?
N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide has a molecular weight of 319.45 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 56802282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).