1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one

C22H26N2O2 — CID 123186417

IUPAC1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one
SMILESCc1ccccc1C(CC(N=O)C1CCC(=O)N(C)C1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16-8-6-7-11-19(16)20(17-9-4-3-5-10-17)14-21(23-26)18-12-13-22(25)24(2)15-18/h3-11,18,20-21H,12-15H2,1-2H3
InChIKeyAFZBOPYALWGNMI-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.52
Rot. Bonds6

About 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one

1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one (PubChem CID 123186417) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one
PubChem CID123186417
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one
SMILESCc1ccccc1C(CC(N=O)C1CCC(=O)N(C)C1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16-8-6-7-11-19(16)20(17-9-4-3-5-10-17)14-21(23-26)18-12-13-22(25)24(2)15-18/h3-11,18,20-21H,12-15H2,1-2H3
InChIKeyAFZBOPYALWGNMI-UHFFFAOYSA-N
XLogP4.52
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one (CID 123186417) is 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one is Cc1ccccc1C(CC(N=O)C1CCC(=O)N(C)C1)c1ccccc1.
What is the InChIKey of 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one?
The InChIKey is AFZBOPYALWGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-8-6-7-11-19(16)20(17-9-4-3-5-10-17)14-21(23-26)18-12-13-22(25)24(2)15-18/h3-11,18,20-21H,12-15H2,1-2H3.
What are the key properties of 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one?
1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(2-methylphenyl)-1-nitroso-3-phenylpropyl]piperidin-2-one is sourced from PubChem (CID 123186417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).