2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide

C20H35N3O3 — CID 108508318

IUPAC2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C20H35N3O3/c1-17(24)22-13-15-23(16-14-22)20(26)19(25)21-18-11-9-7-5-3-2-4-6-8-10-12-18/h18H,2-16H2,1H3,(H,21,25)
InChIKeyYWNRLMCRVYMNMI-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.47
Rot. Bonds1

About 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide (PubChem CID 108508318) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
PubChem CID108508318
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C20H35N3O3/c1-17(24)22-13-15-23(16-14-22)20(26)19(25)21-18-11-9-7-5-3-2-4-6-8-10-12-18/h18H,2-16H2,1H3,(H,21,25)
InChIKeyYWNRLMCRVYMNMI-UHFFFAOYSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-oxo-2-piperidin-1-ylacetamide
CID 2288056
2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
CID 108504369
2-(azetidin-1-yl)-N-cyclobutyl-2-oxoacetamide
CID 131176582
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520617
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
CID 108517344
N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503876
N-cyclohexyl-2-oxopropanamide
CID 12861109
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 51081913
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide (CID 108508318) is 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide is CC(=O)N1CCN(C(=O)C(=O)NC2CCCCCCCCCCC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide?
The InChIKey is YWNRLMCRVYMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-17(24)22-13-15-23(16-14-22)20(26)19(25)21-18-11-9-7-5-3-2-4-6-8-10-12-18/h18H,2-16H2,1H3,(H,21,25).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide has a molecular weight of 365.52 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide is sourced from PubChem (CID 108508318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).