1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione

C16H30N2O3 — CID 64967399

IUPAC1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCOCC(C)N1C(=O)C(CC)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O3/c1-7-16(8-2)15(20)18(12(6)10-21-9-3)13(11(4)5)14(19)17-16/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyRPYMBHXWDDYLKN-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds7

About 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione

1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64967399) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64967399
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCOCC(C)N1C(=O)C(CC)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O3/c1-7-16(8-2)15(20)18(12(6)10-21-9-3)13(11(4)5)14(19)17-16/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyRPYMBHXWDDYLKN-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418
1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64955313
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64960140
3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967457
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 116500126
3,3-diethyl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645652
1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64967279
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973042
3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965106
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
CID 64971742
6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64885975

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione (CID 64967399) is 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione is CCOCC(C)N1C(=O)C(CC)(CC)NC(=O)C1C(C)C.
What is the InChIKey of 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RPYMBHXWDDYLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-16(8-2)15(20)18(12(6)10-21-9-3)13(11(4)5)14(19)17-16/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64967399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).