6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione

C16H26N2O3 — CID 116524712

IUPAC6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C2CC2)N(CC2CCC(C)(C)O2)C1=O
InChIInChI=1S/C16H26N2O3/c1-4-12-15(20)18(9-11-7-8-16(2,3)21-11)13(10-5-6-10)14(19)17-12/h10-13H,4-9H2,1-3H3,(H,17,19)
InChIKeyIMGREFNAWWEDOK-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.46
Rot. Bonds4

About 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione

6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione (PubChem CID 116524712) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione
PubChem CID116524712
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C2CC2)N(CC2CCC(C)(C)O2)C1=O
InChIInChI=1S/C16H26N2O3/c1-4-12-15(20)18(9-11-7-8-16(2,3)21-11)13(10-5-6-10)14(19)17-12/h10-13H,4-9H2,1-3H3,(H,17,19)
InChIKeyIMGREFNAWWEDOK-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione (CID 116524712) is 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione is CCC1NC(=O)C(C2CC2)N(CC2CCC(C)(C)O2)C1=O.
What is the InChIKey of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione?
The InChIKey is IMGREFNAWWEDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-12-15(20)18(9-11-7-8-16(2,3)21-11)13(10-5-6-10)14(19)17-12/h10-13H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione?
6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione has a molecular weight of 294.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 116524712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).