3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione

C15H28N2O3 — CID 115943732

IUPAC3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-7-11-14(19)17(8-9-20-15(4,5)6)12(10(2)3)13(18)16-11/h10-12H,7-9H2,1-6H3,(H,16,18)
InChIKeyRHBPHTRECANUOU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds5

About 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 115943732) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID115943732
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-7-11-14(19)17(8-9-20-15(4,5)6)12(10(2)3)13(18)16-11/h10-12H,7-9H2,1-6H3,(H,16,18)
InChIKeyRHBPHTRECANUOU-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
1-(2-but-3-enoxyethyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 106409840
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64972041
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970383
6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 115943732) is 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(CCOC(C)(C)C)C1=O.
What is the InChIKey of 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RHBPHTRECANUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-11-14(19)17(8-9-20-15(4,5)6)12(10(2)3)13(18)16-11/h10-12H,7-9H2,1-6H3,(H,16,18).
What are the key properties of 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 115943732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).