3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one

C20H24N2O2 — CID 45230079

IUPAC3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one
SMILESCN1CCCC(O)(CNCc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C20H24N2O2/c1-22-13-7-12-20(24,19(22)23)15-21-14-17-10-5-6-11-18(17)16-8-3-2-4-9-16/h2-6,8-11,21,24H,7,12-15H2,1H3
InChIKeyVNWMESOLWGYUFM-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.43
Rot. Bonds5

About 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one

3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one (PubChem CID 45230079) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one
PubChem CID45230079
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one
SMILESCN1CCCC(O)(CNCc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C20H24N2O2/c1-22-13-7-12-20(24,19(22)23)15-21-14-17-10-5-6-11-18(17)16-8-3-2-4-9-16/h2-6,8-11,21,24H,7,12-15H2,1H3
InChIKeyVNWMESOLWGYUFM-UHFFFAOYSA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one (CID 45230079) is 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one is CN1CCCC(O)(CNCc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one?
The InChIKey is VNWMESOLWGYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-22-13-7-12-20(24,19(22)23)15-21-14-17-10-5-6-11-18(17)16-8-3-2-4-9-16/h2-6,8-11,21,24H,7,12-15H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one?
3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-[[(2-phenylphenyl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 45230079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).