1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C16H30N2O3 — CID 114944478

IUPAC1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCOC(C)(C)CN1C(=O)C(C)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O3/c1-8-16(7)14(20)18(10-15(5,6)21-9-2)12(11(3)4)13(19)17-16/h11-12H,8-10H2,1-7H3,(H,17,19)
InChIKeyRLOXXTHTLRDHAJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds6

About 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 114944478) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID114944478
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCOC(C)(C)CN1C(=O)C(C)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O3/c1-8-16(7)14(20)18(10-15(5,6)21-9-2)12(11(3)4)13(19)17-16/h11-12H,8-10H2,1-7H3,(H,17,19)
InChIKeyRLOXXTHTLRDHAJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 114469804
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64960140
3-ethyl-3-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970930

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 114944478) is 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CCOC(C)(C)CN1C(=O)C(C)(CC)NC(=O)C1C(C)C.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RLOXXTHTLRDHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-8-16(7)14(20)18(10-15(5,6)21-9-2)12(11(3)4)13(19)17-16/h11-12H,8-10H2,1-7H3,(H,17,19).
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 114944478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).