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

C12H21N3O3 — CID 108505389

IUPAC2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H21N3O3/c1-4-9(2)13-11(17)12(18)15-7-5-14(6-8-15)10(3)16/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyGPLWJKWMSVSBSQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.41
Rot. Bonds2

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

2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide (PubChem CID 108505389) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
PubChem CID108505389
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H21N3O3/c1-4-9(2)13-11(17)12(18)15-7-5-14(6-8-15)10(3)16/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyGPLWJKWMSVSBSQ-UHFFFAOYSA-N
XLogP-0.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.41
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-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
CID 108508281
2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503261
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide
CID 108508416
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 130117794
2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide
CID 154859661
methyl (2R,3S)-2-[(4-acetylpiperazine-1-carbonyl)amino]-3-methylpentanoate
CID 92508435
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide (CID 108505389) is 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide is CCC(C)NC(=O)C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide?
The InChIKey is GPLWJKWMSVSBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-9(2)13-11(17)12(18)15-7-5-14(6-8-15)10(3)16/h9H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide has a molecular weight of 255.32 g/mol, XLogP of -0.41, 2 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-butan-2-yl-2-oxoacetamide is sourced from PubChem (CID 108505389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).