N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide

C14H25N3O3 — CID 63601505

IUPACN-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide
SMILESCCC1C(=O)NCCN1C(=O)CCCCCNC(C)=O
InChIInChI=1S/C14H25N3O3/c1-3-12-14(20)16-9-10-17(12)13(19)7-5-4-6-8-15-11(2)18/h12H,3-10H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyADZCPLUICGELNZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.42
Rot. Bonds7

About N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide

N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide (PubChem CID 63601505) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide
PubChem CID63601505
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide
SMILESCCC1C(=O)NCCN1C(=O)CCCCCNC(C)=O
InChIInChI=1S/C14H25N3O3/c1-3-12-14(20)16-9-10-17(12)13(19)7-5-4-6-8-15-11(2)18/h12H,3-10H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyADZCPLUICGELNZ-UHFFFAOYSA-N
XLogP0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
CID 63600881
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide?
The IUPAC name of N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide (CID 63601505) is N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide.
What is the SMILES notation for N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide?
The canonical SMILES for N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide is CCC1C(=O)NCCN1C(=O)CCCCCNC(C)=O.
What is the InChIKey of N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide?
The InChIKey is ADZCPLUICGELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-12-14(20)16-9-10-17(12)13(19)7-5-4-6-8-15-11(2)18/h12H,3-10H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide?
N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide is sourced from PubChem (CID 63601505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).