1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

C15H26N2O4 — CID 104766533

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCOC1(CN2C(=O)C(C)(C)NC(=O)C2C(C)C)CCOC1
InChIInChI=1S/C15H26N2O4/c1-10(2)11-12(18)16-14(3,4)13(19)17(11)8-15(20-5)6-7-21-9-15/h10-11H,6-9H2,1-5H3,(H,16,18)
InChIKeyWTFXRPLFXDFIMG-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.55
Rot. Bonds4

About 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 104766533) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID104766533
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCOC1(CN2C(=O)C(C)(C)NC(=O)C2C(C)C)CCOC1
InChIInChI=1S/C15H26N2O4/c1-10(2)11-12(18)16-14(3,4)13(19)17(11)8-15(20-5)6-7-21-9-15/h10-11H,6-9H2,1-5H3,(H,16,18)
InChIKeyWTFXRPLFXDFIMG-UHFFFAOYSA-N
XLogP0.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (CID 104766533) is 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is COC1(CN2C(=O)C(C)(C)NC(=O)C2C(C)C)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WTFXRPLFXDFIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)11-12(18)16-14(3,4)13(19)17(11)8-15(20-5)6-7-21-9-15/h10-11H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 298.38 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 104766533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).