3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione

C10H18N2O3 — CID 142043991

IUPAC3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione
SMILESCOCCCCC1NC(=O)C(C)NC1=O
InChIInChI=1S/C10H18N2O3/c1-7-9(13)12-8(10(14)11-7)5-3-4-6-15-2/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyMOBHJFCUJNXWOU-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.19
Rot. Bonds5

About 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione

3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione (PubChem CID 142043991) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione
PubChem CID142043991
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione
SMILESCOCCCCC1NC(=O)C(C)NC1=O
InChIInChI=1S/C10H18N2O3/c1-7-9(13)12-8(10(14)11-7)5-3-4-6-15-2/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyMOBHJFCUJNXWOU-UHFFFAOYSA-N
XLogP-0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.19
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

(3S,6R,9S,12R)-3,9-bis(4-aminobutyl)-6,12-dimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 102389498
(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione
CID 93496580
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3-(7-methoxyheptyl)-6,6-dimethylbicyclo[3.1.0]hexane-2,4-dione
CID 19024922
3-[(2S,5S,8S,11S,14S)-8-(4-aminobutyl)-5-(2-carboxyethyl)-11-(carboxymethyl)-14-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propanoic acid
CID 11497863
(3S,6S)-3,6-bis(4-aminobutyl)piperazine-2,5-dione;dihydrochloride
CID 175673132
3,6-bis(3-iodopropyl)piperazine-2,5-dione
CID 89339167
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
3-ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
CID 81081691
(3S,6R)-3-(2-methylpropyl)-6-pentylpiperazine-2,5-dione
CID 157372479
3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one
CID 83246899
(4Z)-4-(16-methoxyhexadecylidene)-3-(15-methoxypentadecyl)oxetan-2-one
CID 126673902

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione (CID 142043991) is 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione is COCCCCC1NC(=O)C(C)NC1=O.
What is the InChIKey of 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione?
The InChIKey is MOBHJFCUJNXWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-9(13)12-8(10(14)11-7)5-3-4-6-15-2/h7-8H,3-6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione?
3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione has a molecular weight of 214.26 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 142043991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).