1-nitroso-2,6-diphenylpiperidin-4-one

C17H16N2O2 — CID 14663661

IUPAC1-nitroso-2,6-diphenylpiperidin-4-one
SMILESO=NN1C(c2ccccc2)CC(=O)CC1c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-15-11-16(13-7-3-1-4-8-13)19(18-21)17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChIKeySIYQKXVWEFEFFM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.82
Rot. Bonds3

About 1-nitroso-2,6-diphenylpiperidin-4-one

1-nitroso-2,6-diphenylpiperidin-4-one (PubChem CID 14663661) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-nitroso-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name1-nitroso-2,6-diphenylpiperidin-4-one
PubChem CID14663661
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-nitroso-2,6-diphenylpiperidin-4-one
SMILESO=NN1C(c2ccccc2)CC(=O)CC1c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-15-11-16(13-7-3-1-4-8-13)19(18-21)17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
InChIKeySIYQKXVWEFEFFM-UHFFFAOYSA-N
XLogP3.82
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-2,6-diphenylpiperidin-4-one?
The IUPAC name of 1-nitroso-2,6-diphenylpiperidin-4-one (CID 14663661) is 1-nitroso-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 1-nitroso-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 1-nitroso-2,6-diphenylpiperidin-4-one is O=NN1C(c2ccccc2)CC(=O)CC1c1ccccc1.
What is the InChIKey of 1-nitroso-2,6-diphenylpiperidin-4-one?
The InChIKey is SIYQKXVWEFEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-15-11-16(13-7-3-1-4-8-13)19(18-21)17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2.
What are the key properties of 1-nitroso-2,6-diphenylpiperidin-4-one?
1-nitroso-2,6-diphenylpiperidin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 14663661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).