1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione

C15H28N2O2 — CID 64872808

IUPAC1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)CCN1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C15H28N2O2/c1-9(2)7-8-17-13(11(5)6)14(18)16-12(10(3)4)15(17)19/h9-13H,7-8H2,1-6H3,(H,16,18)
InChIKeyMFXXJSMDRCZMTI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione

1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 64872808) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID64872808
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)CCN1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C15H28N2O2/c1-9(2)7-8-17-13(11(5)6)14(18)16-12(10(3)4)15(17)19/h9-13H,7-8H2,1-6H3,(H,16,18)
InChIKeyMFXXJSMDRCZMTI-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970004
3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971148
6-methyl-1-(7-methyloctyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107818513
1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 107056430
2-cyclopentyl-3-(3-methylbutyl)-5-propan-2-ylimidazolidin-4-one
CID 83238286
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817
6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873023
6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64968489
6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 65178143

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 64872808) is 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)CCN1C(=O)C(C(C)C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is MFXXJSMDRCZMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-9(2)7-8-17-13(11(5)6)14(18)16-12(10(3)4)15(17)19/h9-13H,7-8H2,1-6H3,(H,16,18).
What are the key properties of 1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.04, 5 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-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64872808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).