6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

C16H30N2O3 — CID 64873399

IUPAC6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)C)C(=O)N1CCOC(C)C
InChIInChI=1S/C16H30N2O3/c1-7-12(6)14-15(19)17-13(10(2)3)16(20)18(14)8-9-21-11(4)5/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeyNTRKFPOICIMQEC-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds7

About 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (PubChem CID 64873399) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
PubChem CID64873399
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)C)C(=O)N1CCOC(C)C
InChIInChI=1S/C16H30N2O3/c1-7-12(6)14-15(19)17-13(10(2)3)16(20)18(14)8-9-21-11(4)5/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeyNTRKFPOICIMQEC-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (CID 64873399) is 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is CCC(C)C1C(=O)NC(C(C)C)C(=O)N1CCOC(C)C.
What is the InChIKey of 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The InChIKey is NTRKFPOICIMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-12(6)14-15(19)17-13(10(2)3)16(20)18(14)8-9-21-11(4)5/h10-14H,7-9H2,1-6H3,(H,17,19).
What are the key properties of 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64873399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).