3-(2-methylbutyl)piperazine-2,6-dione

C9H16N2O2 — CID 131186304

IUPAC3-(2-methylbutyl)piperazine-2,6-dione
SMILESCCC(C)CC1NCC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-3-6(2)4-7-9(13)11-8(12)5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeySTIADZAJCQYGHL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.04
Rot. Bonds3

About 3-(2-methylbutyl)piperazine-2,6-dione

3-(2-methylbutyl)piperazine-2,6-dione (PubChem CID 131186304) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-methylbutyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-(2-methylbutyl)piperazine-2,6-dione
PubChem CID131186304
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2-methylbutyl)piperazine-2,6-dione
SMILESCCC(C)CC1NCC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-3-6(2)4-7-9(13)11-8(12)5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeySTIADZAJCQYGHL-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one
CID 55253255
4,8-bis(2-methylbutyl)-1,5-diazocane-2,6-dione
CID 11335055
4-(2-methylbutyl)oxane-2,6-dione
CID 90389665
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374
5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 83697701
3-cyclopropyl-6,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64886964
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
3-(2-methylbutyl)oxane-2,6-dione
CID 90389664
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione
CID 177371446
4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione
CID 58710780
4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one
CID 66108493

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutyl)piperazine-2,6-dione?
The IUPAC name of 3-(2-methylbutyl)piperazine-2,6-dione (CID 131186304) is 3-(2-methylbutyl)piperazine-2,6-dione.
What is the SMILES notation for 3-(2-methylbutyl)piperazine-2,6-dione?
The canonical SMILES for 3-(2-methylbutyl)piperazine-2,6-dione is CCC(C)CC1NCC(=O)NC1=O.
What is the InChIKey of 3-(2-methylbutyl)piperazine-2,6-dione?
The InChIKey is STIADZAJCQYGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-6(2)4-7-9(13)11-8(12)5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-(2-methylbutyl)piperazine-2,6-dione?
3-(2-methylbutyl)piperazine-2,6-dione has a molecular weight of 184.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutyl)piperazine-2,6-dione is sourced from PubChem (CID 131186304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).