oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate

C14H20N4O2 — CID 170788856

IUPACoxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate
SMILES[H]/N=C(\OC1COC1)c1cc(N2CCCCC2)cnc1N
InChIInChI=1S/C14H20N4O2/c15-13-12(14(16)20-11-8-19-9-11)6-10(7-17-13)18-4-2-1-3-5-18/h6-7,11,16H,1-5,8-9H2,(H2,15,17)/b16-14-
InChIKeyVTKVPWMZAPCAPF-PEZBUJJGSA-N
MW276.34 g/mol
LogP1.39
Rot. Bonds3

About oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate

oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate (PubChem CID 170788856) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate.

Molecular Properties

Compound Nameoxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate
PubChem CID170788856
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameoxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate
SMILES[H]/N=C(\OC1COC1)c1cc(N2CCCCC2)cnc1N
InChIInChI=1S/C14H20N4O2/c15-13-12(14(16)20-11-8-19-9-11)6-10(7-17-13)18-4-2-1-3-5-18/h6-7,11,16H,1-5,8-9H2,(H2,15,17)/b16-14-
InChIKeyVTKVPWMZAPCAPF-PEZBUJJGSA-N
XLogP1.39
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate?
The IUPAC name of oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate (CID 170788856) is oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate.
What is the SMILES notation for oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate?
The canonical SMILES for oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate is [H]/N=C(\OC1COC1)c1cc(N2CCCCC2)cnc1N.
What is the InChIKey of oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate?
The InChIKey is VTKVPWMZAPCAPF-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-13-12(14(16)20-11-8-19-9-11)6-10(7-17-13)18-4-2-1-3-5-18/h6-7,11,16H,1-5,8-9H2,(H2,15,17)/b16-14-.
What are the key properties of oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate?
oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate has a molecular weight of 276.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2-amino-5-piperidin-1-ylpyridine-3-carboximidate is sourced from PubChem (CID 170788856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).