N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C10H14N2O4 — CID 62896429

IUPACN-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C1CCC(NC(=O)C2=COCCO2)CN1
InChIInChI=1S/C10H14N2O4/c13-9-2-1-7(5-11-9)12-10(14)8-6-15-3-4-16-8/h6-7H,1-5H2,(H,11,13)(H,12,14)
InChIKeyCJMFFWMWQUBXPZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.73
Rot. Bonds2

About N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 62896429) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID62896429
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C1CCC(NC(=O)C2=COCCO2)CN1
InChIInChI=1S/C10H14N2O4/c13-9-2-1-7(5-11-9)12-10(14)8-6-15-3-4-16-8/h6-7H,1-5H2,(H,11,13)(H,12,14)
InChIKeyCJMFFWMWQUBXPZ-UHFFFAOYSA-N
XLogP-0.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 62896429) is N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C1CCC(NC(=O)C2=COCCO2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is CJMFFWMWQUBXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-9-2-1-7(5-11-9)12-10(14)8-6-15-3-4-16-8/h6-7H,1-5H2,(H,11,13)(H,12,14).
What are the key properties of N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 62896429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).