ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate

C13H23N3O4 — CID 22474675

IUPACethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CN2CCCNC2=O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-20-12(18)15-8-4-13(19,5-9-15)10-16-7-3-6-14-11(16)17/h19H,2-10H2,1H3,(H,14,17)
InChIKeyXVVDGHWAWZXBMY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.39
Rot. Bonds3

About ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate

ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 22474675) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate
PubChem CID22474675
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nameethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(CN2CCCNC2=O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-20-12(18)15-8-4-13(19,5-9-15)10-16-7-3-6-14-11(16)17/h19H,2-10H2,1H3,(H,14,17)
InChIKeyXVVDGHWAWZXBMY-UHFFFAOYSA-N
XLogP0.39
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate (CID 22474675) is ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(O)(CN2CCCNC2=O)CC1.
What is the InChIKey of ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is XVVDGHWAWZXBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-20-12(18)15-8-4-13(19,5-9-15)10-16-7-3-6-14-11(16)17/h19H,2-10H2,1H3,(H,14,17).
What are the key properties of ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate?
ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-[(2-oxo-1,3-diazinan-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 22474675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).