1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione

C17H32N2O2 — CID 64902109

IUPAC1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CCN1C(=O)C(CC(C)C)NC(=O)C1CC(C)C
InChIInChI=1S/C17H32N2O2/c1-11(2)7-8-19-15(10-13(5)6)16(20)18-14(17(19)21)9-12(3)4/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyWCOQXCDWICYPNA-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.82
Rot. Bonds7

About 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione

1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64902109) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
PubChem CID64902109
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CCN1C(=O)C(CC(C)C)NC(=O)C1CC(C)C
InChIInChI=1S/C17H32N2O2/c1-11(2)7-8-19-15(10-13(5)6)16(20)18-14(17(19)21)9-12(3)4/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyWCOQXCDWICYPNA-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64900962
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
(3S,6S,9S,12S,15S)-1,7-dimethyl-3,6,9,12,15-pentakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25112188
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
CID 116645570
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione (CID 64902109) is 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione is CC(C)CCN1C(=O)C(CC(C)C)NC(=O)C1CC(C)C.
What is the InChIKey of 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is WCOQXCDWICYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11(2)7-8-19-15(10-13(5)6)16(20)18-14(17(19)21)9-12(3)4/h11-15H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione?
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).