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

C20H38N4O2 — CID 108517344

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
SMILESNCCN1CCN(C(=O)C(=O)NC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c21-12-13-23-14-16-24(17-15-23)20(26)19(25)22-18-10-8-6-4-2-1-3-5-7-9-11-18/h18H,1-17,21H2,(H,22,25)
InChIKeyJLPSQKKQONCTAL-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.88
Rot. Bonds3

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

2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide (PubChem CID 108517344) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
PubChem CID108517344
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
SMILESNCCN1CCN(C(=O)C(=O)NC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c21-12-13-23-14-16-24(17-15-23)20(26)19(25)22-18-10-8-6-4-2-1-3-5-7-9-11-18/h18H,1-17,21H2,(H,22,25)
InChIKeyJLPSQKKQONCTAL-UHFFFAOYSA-N
XLogP1.88
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Esaprazole
CID 68835
N-Cyclohexyl-2-oxo-2-(1-piperidinyl)ethaneamine
CID 10242745
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
[2-(Decylamino)-2-oxoethyl]-[2-[[2-(decylamino)-2-oxoethyl]-dimethylazaniumyl]ethyl]-dimethylazanium dibromide
CID 134141519
[2-(Decylamino)-2-oxoethyl]-[2-[4-[2-(decylamino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]ethyl]-dimethylazanium dibromide
CID 137662188
Tocris-1628
CID 6604894
2,3-Piperazinedione, 1-octyl-
CID 3042435
1-Piperidineacetamide, N-octyl-
CID 3063688
1-Piperidineacetamide, N-dodecyl-
CID 3064220
N,N'-Dioctyloxamide
CID 344946
Npc 15437
CID 4548
2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide
CID 10780520

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide (CID 108517344) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide is NCCN1CCN(C(=O)C(=O)NC2CCCCCCCCCCC2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide?
The InChIKey is JLPSQKKQONCTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c21-12-13-23-14-16-24(17-15-23)20(26)19(25)22-18-10-8-6-4-2-1-3-5-7-9-11-18/h18H,1-17,21H2,(H,22,25).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide has a molecular weight of 366.55 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 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-cyclododecyl-2-oxoacetamide is sourced from PubChem (CID 108517344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).