N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

C13H25N3O2 — CID 113158629

IUPACN-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)N1CCN(C)CC1)C(C)=O
InChIInChI=1S/C13H25N3O2/c1-4-5-6-16(12(2)17)11-13(18)15-9-7-14(3)8-10-15/h4-11H2,1-3H3
InChIKeyFEBKHWWGMKTEAU-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.41
Rot. Bonds5

About N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113158629) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113158629
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCCCCN(CC(=O)N1CCN(C)CC1)C(C)=O
InChIInChI=1S/C13H25N3O2/c1-4-5-6-16(12(2)17)11-13(18)15-9-7-14(3)8-10-15/h4-11H2,1-3H3
InChIKeyFEBKHWWGMKTEAU-UHFFFAOYSA-N
XLogP0.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157923
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pentylacetamide
CID 113166654
ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate
CID 113166709
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165787
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
N-[3-(dimethylamino)propyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160775
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 142622337
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
CID 130390843

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113158629) is N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is CCCCN(CC(=O)N1CCN(C)CC1)C(C)=O.
What is the InChIKey of N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is FEBKHWWGMKTEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-6-16(12(2)17)11-13(18)15-9-7-14(3)8-10-15/h4-11H2,1-3H3.
What are the key properties of N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113158629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).