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

C16H30N2O2 — CID 64902684

IUPAC1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(CC(C)C)N(CC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-10(2)7-13-16(20)18(9-12(5)6)14(8-11(3)4)15(19)17-13/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeySSLKOFJGYPPQCF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.43
Rot. Bonds6

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

1,3,6-tris(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64902684) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
PubChem CID64902684
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(CC(C)C)N(CC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-10(2)7-13-16(20)18(9-12(5)6)14(8-11(3)4)15(19)17-13/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeySSLKOFJGYPPQCF-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 20676238
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64901911
(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-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957

Frequently Asked Questions

What is the IUPAC name of 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione (CID 64902684) is 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(CC(C)C)N(CC(C)C)C1=O.
What is the InChIKey of 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is SSLKOFJGYPPQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10(2)7-13-16(20)18(9-12(5)6)14(8-11(3)4)15(19)17-13/h10-14H,7-9H2,1-6H3,(H,17,19).
What are the key properties of 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione?
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-tris(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).