2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide

C12H23N3O2 — CID 28708756

IUPAC2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
SMILESCCC(CC)C(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-3-10(4-2)12(17)14-9-11(16)15-7-5-13-6-8-15/h10,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyLZTNLPXDANENDC-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.03
Rot. Bonds5

About 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide

2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide (PubChem CID 28708756) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
PubChem CID28708756
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
SMILESCCC(CC)C(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-3-10(4-2)12(17)14-9-11(16)15-7-5-13-6-8-15/h10,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyLZTNLPXDANENDC-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
2-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176259
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
(2S)-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]pentanoic acid
CID 107566361
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
The IUPAC name of 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide (CID 28708756) is 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide is CCC(CC)C(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
The InChIKey is LZTNLPXDANENDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-10(4-2)12(17)14-9-11(16)15-7-5-13-6-8-15/h10,13H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide has a molecular weight of 241.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide is sourced from PubChem (CID 28708756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).