methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate

C11H19N3O3 — CID 18314265

IUPACmethyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1(N2CCCNC2=O)CCNCC1
InChIInChI=1S/C11H19N3O3/c1-17-9(15)11(3-6-12-7-4-11)14-8-2-5-13-10(14)16/h12H,2-8H2,1H3,(H,13,16)
InChIKeyULOGTXDUJIUWPD-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.30
Rot. Bonds2

About methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate

methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate (PubChem CID 18314265) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate
PubChem CID18314265
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1(N2CCCNC2=O)CCNCC1
InChIInChI=1S/C11H19N3O3/c1-17-9(15)11(3-6-12-7-4-11)14-8-2-5-13-10(14)16/h12H,2-8H2,1H3,(H,13,16)
InChIKeyULOGTXDUJIUWPD-UHFFFAOYSA-N
XLogP-0.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate (CID 18314265) is methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate is COC(=O)C1(N2CCCNC2=O)CCNCC1.
What is the InChIKey of methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate?
The InChIKey is ULOGTXDUJIUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-17-9(15)11(3-6-12-7-4-11)14-8-2-5-13-10(14)16/h12H,2-8H2,1H3,(H,13,16).
What are the key properties of methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate?
methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-4-carboxylate is sourced from PubChem (CID 18314265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).