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

C16H30N2O2 — CID 64901911

IUPAC1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC(C)C)C(=O)N1CC(C)CC
InChIInChI=1S/C16H30N2O2/c1-6-8-14-15(19)17-13(9-11(3)4)16(20)18(14)10-12(5)7-2/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyZKBHDRYLDZNDGL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.57
Rot. Bonds7

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

1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (PubChem CID 64901911) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
PubChem CID64901911
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC(C)C)C(=O)N1CC(C)CC
InChIInChI=1S/C16H30N2O2/c1-6-8-14-15(19)17-13(9-11(3)4)16(20)18(14)10-12(5)7-2/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyZKBHDRYLDZNDGL-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 107902164
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
CID 82934942
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
2-methyl-3-(2-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252090
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (CID 64901911) is 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC(C)C)C(=O)N1CC(C)CC.
What is the InChIKey of 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The InChIKey is ZKBHDRYLDZNDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-14-15(19)17-13(9-11(3)4)16(20)18(14)10-12(5)7-2/h11-14H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64901911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).