3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione

C15H26N2O4 — CID 104766524

IUPAC3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CC2(OC)CCOC2)C1=O
InChIInChI=1S/C15H26N2O4/c1-5-15(6-2)13(19)17(11(3)12(18)16-15)9-14(20-4)7-8-21-10-14/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyIGKJWHHUSGHAAK-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.70
Rot. Bonds5

About 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione

3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 104766524) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID104766524
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CC2(OC)CCOC2)C1=O
InChIInChI=1S/C15H26N2O4/c1-5-15(6-2)13(19)17(11(3)12(18)16-15)9-14(20-4)7-8-21-10-14/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyIGKJWHHUSGHAAK-UHFFFAOYSA-N
XLogP0.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione (CID 104766524) is 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(CC2(OC)CCOC2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is IGKJWHHUSGHAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-15(6-2)13(19)17(11(3)12(18)16-15)9-14(20-4)7-8-21-10-14/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione?
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 298.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 104766524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).