3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione

C14H24N2O3 — CID 103142001

IUPAC3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CC2CCC(C)O2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-9(2)13-14(18)16(8-12(17)15-13)7-11-6-5-10(3)19-11/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyFPRPQSARIUZXRC-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds4

About 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione

3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione (PubChem CID 103142001) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
PubChem CID103142001
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CC2CCC(C)O2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-9(2)13-14(18)16(8-12(17)15-13)7-11-6-5-10(3)19-11/h9-11,13H,4-8H2,1-3H3,(H,15,17)
InChIKeyFPRPQSARIUZXRC-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione (CID 103142001) is 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione is CCC(C)C1NC(=O)CN(CC2CCC(C)O2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is FPRPQSARIUZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-9(2)13-14(18)16(8-12(17)15-13)7-11-6-5-10(3)19-11/h9-11,13H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 103142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).