2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide

C13H26N4O2 — CID 108517896

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C13H26N4O2/c1-3-4-6-15(2)12(18)13(19)17-10-8-16(7-5-14)9-11-17/h3-11,14H2,1-2H3
InChIKeyDNYBHCYEMAFONV-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.65
Rot. Bonds5

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide (PubChem CID 108517896) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide
PubChem CID108517896
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C13H26N4O2/c1-3-4-6-15(2)12(18)13(19)17-10-8-16(7-5-14)9-11-17/h3-11,14H2,1-2H3
InChIKeyDNYBHCYEMAFONV-UHFFFAOYSA-N
XLogP-0.65
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide
CID 108517898
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]pentan-1-one
CID 43251686
2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108517764
N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523010
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 109017680
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522829
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 108989937
2-[4-(2-aminoethyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-oxoacetamide
CID 108517869
N-methyl-2-oxo-2-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63209113

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide (CID 108517896) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide is CCCCN(C)C(=O)C(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide?
The InChIKey is DNYBHCYEMAFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-4-6-15(2)12(18)13(19)17-10-8-16(7-5-14)9-11-17/h3-11,14H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide has a molecular weight of 270.38 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide is sourced from PubChem (CID 108517896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).