6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione

C15H28N2O2 — CID 64901459

IUPAC6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)CC)N(CCC(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-11(5)13-14(18)16-12(7-2)15(19)17(13)9-8-10(3)4/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyDBZRQAIBFLRTEZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.18
Rot. Bonds6

About 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione

6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione (PubChem CID 64901459) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
PubChem CID64901459
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)CC)N(CCC(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-11(5)13-14(18)16-12(7-2)15(19)17(13)9-8-10(3)4/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyDBZRQAIBFLRTEZ-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64900962
6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64902418
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141809
1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione
CID 64902609
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione (CID 64901459) is 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione is CCC1NC(=O)C(C(C)CC)N(CCC(C)C)C1=O.
What is the InChIKey of 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The InChIKey is DBZRQAIBFLRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-11(5)13-14(18)16-12(7-2)15(19)17(13)9-8-10(3)4/h10-13H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione?
6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64901459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).