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

C15H28N2O2 — CID 64873181

IUPAC1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(CCC)NC(=O)C1CC(C)C
InChIInChI=1S/C15H28N2O2/c1-5-7-9-17-13(10-11(3)4)14(18)16-12(8-6-2)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyKCMIZBUYFBUFNS-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds7

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

1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione (PubChem CID 64873181) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
PubChem CID64873181
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(CCC)NC(=O)C1CC(C)C
InChIInChI=1S/C15H28N2O2/c1-5-7-9-17-13(10-11(3)4)14(18)16-12(8-6-2)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyKCMIZBUYFBUFNS-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione (CID 64873181) is 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione is CCCCN1C(=O)C(CCC)NC(=O)C1CC(C)C.
What is the InChIKey of 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The InChIKey is KCMIZBUYFBUFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-9-17-13(10-11(3)4)14(18)16-12(8-6-2)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64873181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).