2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide

C13H23N3O3 — CID 63602442

IUPAC2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCC1NCCN(CC(=O)NC2CCOCC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-2-11-13(18)16(6-5-14-11)9-12(17)15-10-3-7-19-8-4-10/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyKPENDSBZMAJRHJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds4

About 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide

2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 63602442) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID63602442
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCC1NCCN(CC(=O)NC2CCOCC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-2-11-13(18)16(6-5-14-11)9-12(17)15-10-3-7-19-8-4-10/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyKPENDSBZMAJRHJ-UHFFFAOYSA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide (CID 63602442) is 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide is CCC1NCCN(CC(=O)NC2CCOCC2)C1=O.
What is the InChIKey of 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is KPENDSBZMAJRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-11-13(18)16(6-5-14-11)9-12(17)15-10-3-7-19-8-4-10/h10-11,14H,2-9H2,1H3,(H,15,17).
What are the key properties of 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide?
2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 269.34 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxopiperazin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63602442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).