6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide

C13H25N4O3P — CID 144827233

IUPAC6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide
SMILESO=C1N2CCCC(C2)N1P.O=CNOCC1CCCNC1
InChIInChI=1S/C7H14N2O2.C6H11N2OP/c10-6-9-11-5-7-2-1-3-8-4-7;9-6-7-3-1-2-5(4-7)8(6)10/h6-8H,1-5H2,(H,9,10);5H,1-4,10H2
InChIKeyNHZXJYLYFDOKOT-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.34
Rot. Bonds4

About 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide

6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide (PubChem CID 144827233) has the molecular formula C13H25N4O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide.

Molecular Properties

Compound Name6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide
PubChem CID144827233
Molecular FormulaC13H25N4O3P
Molecular Weight316.34 g/mol
Exact Mass316.17
IUPAC Name6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide
SMILESO=C1N2CCCC(C2)N1P.O=CNOCC1CCCNC1
InChIInChI=1S/C7H14N2O2.C6H11N2OP/c10-6-9-11-5-7-2-1-3-8-4-7;9-6-7-3-1-2-5(4-7)8(6)10/h6-8H,1-5H2,(H,9,10);5H,1-4,10H2
InChIKeyNHZXJYLYFDOKOT-UHFFFAOYSA-N
XLogP0.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate;N-(piperidin-3-ylmethoxy)formamide
CID 144827226

Frequently Asked Questions

What is the IUPAC name of 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide?
The IUPAC name of 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide (CID 144827233) is 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide.
What is the SMILES notation for 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide?
The canonical SMILES for 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide is O=C1N2CCCC(C2)N1P.O=CNOCC1CCCNC1.
What is the InChIKey of 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide?
The InChIKey is NHZXJYLYFDOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C6H11N2OP/c10-6-9-11-5-7-2-1-3-8-4-7;9-6-7-3-1-2-5(4-7)8(6)10/h6-8H,1-5H2,(H,9,10);5H,1-4,10H2.
What are the key properties of 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide?
6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide has a molecular weight of 316.34 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;N-(piperidin-3-ylmethoxy)formamide is sourced from PubChem (CID 144827233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).