2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one

C23H18Cl2N2O2 — CID 56683426

IUPAC2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one
SMILESO=NN1C(c2ccc(Cl)cc2)CC(=O)C(c2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-10-6-15(7-11-18)20-14-21(28)22(16-4-2-1-3-5-16)23(27(20)26-29)17-8-12-19(25)13-9-17/h1-13,20,22-23H,14H2
InChIKeyYQNVENJYPXQQMB-UHFFFAOYSA-N
MW425.32 g/mol
LogP6.52
Rot. Bonds4

About 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one

2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one (PubChem CID 56683426) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one
PubChem CID56683426
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one
SMILESO=NN1C(c2ccc(Cl)cc2)CC(=O)C(c2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-10-6-15(7-11-18)20-14-21(28)22(16-4-2-1-3-5-16)23(27(20)26-29)17-8-12-19(25)13-9-17/h1-13,20,22-23H,14H2
InChIKeyYQNVENJYPXQQMB-UHFFFAOYSA-N
XLogP6.52
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 56.52
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 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one?
The IUPAC name of 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one (CID 56683426) is 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one is O=NN1C(c2ccc(Cl)cc2)CC(=O)C(c2ccccc2)C1c1ccc(Cl)cc1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one?
The InChIKey is YQNVENJYPXQQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c24-18-10-6-15(7-11-18)20-14-21(28)22(16-4-2-1-3-5-16)23(27(20)26-29)17-8-12-19(25)13-9-17/h1-13,20,22-23H,14H2.
What are the key properties of 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one?
2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one has a molecular weight of 425.32 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one is sourced from PubChem (CID 56683426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).