4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one

C12H23N3O3 — CID 81088563

IUPAC4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(N)CCCOC
InChIInChI=1S/C12H23N3O3/c1-3-10-11(16)14-6-7-15(10)12(17)9(13)5-4-8-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyZSTGFJNPHHUMAZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds6

About 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one

4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one (PubChem CID 81088563) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
PubChem CID81088563
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(N)CCCOC
InChIInChI=1S/C12H23N3O3/c1-3-10-11(16)14-6-7-15(10)12(17)9(13)5-4-8-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyZSTGFJNPHHUMAZ-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
CID 115290708
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one (CID 81088563) is 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)C(N)CCCOC.
What is the InChIKey of 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one?
The InChIKey is ZSTGFJNPHHUMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-10-11(16)14-6-7-15(10)12(17)9(13)5-4-8-18-2/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one?
4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one has a molecular weight of 257.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 81088563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).