N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide

C11H19N3O4 — CID 61175302

IUPACN-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)C1COCCO1
InChIInChI=1S/C11H19N3O4/c15-10(14-3-1-12-2-4-14)7-13-11(16)9-8-17-5-6-18-9/h9,12H,1-8H2,(H,13,16)
InChIKeyRRTVNCRHCFCGQC-UHFFFAOYSA-N
MW257.29 g/mol
LogP-2.05
Rot. Bonds3

About N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide

N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide (PubChem CID 61175302) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide
PubChem CID61175302
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC NameN-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)C1COCCO1
InChIInChI=1S/C11H19N3O4/c15-10(14-3-1-12-2-4-14)7-13-11(16)9-8-17-5-6-18-9/h9,12H,1-8H2,(H,13,16)
InChIKeyRRTVNCRHCFCGQC-UHFFFAOYSA-N
XLogP-2.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide (CID 61175302) is N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide is O=C(NCC(=O)N1CCNCC1)C1COCCO1.
What is the InChIKey of N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide?
The InChIKey is RRTVNCRHCFCGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c15-10(14-3-1-12-2-4-14)7-13-11(16)9-8-17-5-6-18-9/h9,12H,1-8H2,(H,13,16).
What are the key properties of N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide?
N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of -2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperazin-1-ylethyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 61175302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).