1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one

C20H22F2N2O4 — CID 69082715

IUPAC1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)F)nc1
InChIInChI=1S/C20H22F2N2O4/c1-26-15-6-4-7-16(27-2)19(15)14-5-3-8-18(25)24(14)12-13-9-10-17(23-11-13)28-20(21)22/h4,6-7,9-11,14,20H,3,5,8,12H2,1-2H3
InChIKeyHRONCCUMYAESTQ-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.95
Rot. Bonds7

About 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one

1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one (PubChem CID 69082715) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one
PubChem CID69082715
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)F)nc1
InChIInChI=1S/C20H22F2N2O4/c1-26-15-6-4-7-16(27-2)19(15)14-5-3-8-18(25)24(14)12-13-9-10-17(23-11-13)28-20(21)22/h4,6-7,9-11,14,20H,3,5,8,12H2,1-2H3
InChIKeyHRONCCUMYAESTQ-UHFFFAOYSA-N
XLogP3.95
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The IUPAC name of 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one (CID 69082715) is 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one.
What is the SMILES notation for 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The canonical SMILES for 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)F)nc1.
What is the InChIKey of 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The InChIKey is HRONCCUMYAESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-26-15-6-4-7-16(27-2)19(15)14-5-3-8-18(25)24(14)12-13-9-10-17(23-11-13)28-20(21)22/h4,6-7,9-11,14,20H,3,5,8,12H2,1-2H3.
What are the key properties of 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one has a molecular weight of 392.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one is sourced from PubChem (CID 69082715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).