N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide

C16H25N3O — CID 63873691

IUPACN-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)Cc2ccccc2)CC(C)N1
InChIInChI=1S/C16H25N3O/c1-13-9-19(10-14(2)17-13)12-16(20)18(3)11-15-7-5-4-6-8-15/h4-8,13-14,17H,9-12H2,1-3H3
InChIKeyFCKPUTWOYBOXFP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.33
Rot. Bonds4

About N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide

N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide (PubChem CID 63873691) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
PubChem CID63873691
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)Cc2ccccc2)CC(C)N1
InChIInChI=1S/C16H25N3O/c1-13-9-19(10-14(2)17-13)12-16(20)18(3)11-15-7-5-4-6-8-15/h4-8,13-14,17H,9-12H2,1-3H3
InChIKeyFCKPUTWOYBOXFP-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119923943
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975494
2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
CID 81452559
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773430
N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 56802282
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide (CID 63873691) is N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide is CC1CN(CC(=O)N(C)Cc2ccccc2)CC(C)N1.
What is the InChIKey of N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The InChIKey is FCKPUTWOYBOXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-9-19(10-14(2)17-13)12-16(20)18(3)11-15-7-5-4-6-8-15/h4-8,13-14,17H,9-12H2,1-3H3.
What are the key properties of N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 63873691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).