1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one

C11H21N3O2 — CID 18340091

IUPAC1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one
SMILESCCN1CCC(N2CC(O)CNC2=O)CC1
InChIInChI=1S/C11H21N3O2/c1-2-13-5-3-9(4-6-13)14-8-10(15)7-12-11(14)16/h9-10,15H,2-8H2,1H3,(H,12,16)
InChIKeyLUXJCMACABJYHK-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.14
Rot. Bonds2

About 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one

1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one (PubChem CID 18340091) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one
PubChem CID18340091
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one
SMILESCCN1CCC(N2CC(O)CNC2=O)CC1
InChIInChI=1S/C11H21N3O2/c1-2-13-5-3-9(4-6-13)14-8-10(15)7-12-11(14)16/h9-10,15H,2-8H2,1H3,(H,12,16)
InChIKeyLUXJCMACABJYHK-UHFFFAOYSA-N
XLogP-0.14
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one (CID 18340091) is 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one is CCN1CCC(N2CC(O)CNC2=O)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one?
The InChIKey is LUXJCMACABJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-13-5-3-9(4-6-13)14-8-10(15)7-12-11(14)16/h9-10,15H,2-8H2,1H3,(H,12,16).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one?
1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one is sourced from PubChem (CID 18340091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).