ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate

C19H32N4O3 — CID 155190993

IUPACethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate
SMILESCCOC(=O)C1CNC2(C1)CC(N1CCC(N3CCCNC3=O)CC1)C2
InChIInChI=1S/C19H32N4O3/c1-2-26-17(24)14-10-19(21-13-14)11-16(12-19)22-8-4-15(5-9-22)23-7-3-6-20-18(23)25/h14-16,21H,2-13H2,1H3,(H,20,25)
InChIKeyVNOFRYNTHDERJN-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.94
Rot. Bonds4

About ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate

ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate (PubChem CID 155190993) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate
PubChem CID155190993
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Nameethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate
SMILESCCOC(=O)C1CNC2(C1)CC(N1CCC(N3CCCNC3=O)CC1)C2
InChIInChI=1S/C19H32N4O3/c1-2-26-17(24)14-10-19(21-13-14)11-16(12-19)22-8-4-15(5-9-22)23-7-3-6-20-18(23)25/h14-16,21H,2-13H2,1H3,(H,20,25)
InChIKeyVNOFRYNTHDERJN-UHFFFAOYSA-N
XLogP0.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate (CID 155190993) is ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate is CCOC(=O)C1CNC2(C1)CC(N1CCC(N3CCCNC3=O)CC1)C2.
What is the InChIKey of ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is VNOFRYNTHDERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-2-26-17(24)14-10-19(21-13-14)11-16(12-19)22-8-4-15(5-9-22)23-7-3-6-20-18(23)25/h14-16,21H,2-13H2,1H3,(H,20,25).
What are the key properties of ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate?
ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]-5-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 155190993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).