3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione

C13H25N3O2 — CID 147838598

IUPAC3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
SMILESCCCCCC1NC(=O)C(CCCCN)NC1=O
InChIInChI=1S/C13H25N3O2/c1-2-3-4-7-10-12(17)16-11(13(18)15-10)8-5-6-9-14/h10-11H,2-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyHSNFBRQUIMJDHS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.68
Rot. Bonds8

About 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione

3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione (PubChem CID 147838598) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
PubChem CID147838598
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
SMILESCCCCCC1NC(=O)C(CCCCN)NC1=O
InChIInChI=1S/C13H25N3O2/c1-2-3-4-7-10-12(17)16-11(13(18)15-10)8-5-6-9-14/h10-11H,2-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyHSNFBRQUIMJDHS-UHFFFAOYSA-N
XLogP0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Piperidine-2-carboxamide
CID 140623
Cyclo(alanyl-leucyl)
CID 13879946
N-(2-Amino-2-oxoethyl)tetradecanamide
CID 469034
4-Dodecanoylpiperazine-2,6-dione
CID 2775706
N-Lauroyl-L-glutamic acid di-n-butylamide
CID 113401
(S)-N-(2,6-Dioxopiperidin-3-yl)pentanamide
CID 10965828
N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide
CID 10966632
N-[(3S)-2,6-dioxopiperidin-3-yl]nonanamide
CID 11054677
N-[(3S)-2-oxoazetidin-3-yl]-nonanamide
CID 81689844
N-[(3S)-2-oxoazetidin-3-yl]-decanamide
CID 86274002
N-[(3S)-2-oxoazetidin-3-yl]undecanamide
CID 86274233

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione?
The IUPAC name of 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione (CID 147838598) is 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione.
What is the SMILES notation for 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione?
The canonical SMILES for 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione is CCCCCC1NC(=O)C(CCCCN)NC1=O.
What is the InChIKey of 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione?
The InChIKey is HSNFBRQUIMJDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-3-4-7-10-12(17)16-11(13(18)15-10)8-5-6-9-14/h10-11H,2-9,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione?
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione has a molecular weight of 255.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione is sourced from PubChem (CID 147838598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).