1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one

C23H26F2N2O4 — CID 69083322

IUPAC1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc(OC(F)F)c(C2CC2)c1
InChIInChI=1S/C23H26F2N2O4/c1-29-18-6-4-7-19(30-2)21(18)17-5-3-8-20(28)27(17)13-14-11-16(15-9-10-15)22(26-12-14)31-23(24)25/h4,6-7,11-12,15,17,23H,3,5,8-10,13H2,1-2H3
InChIKeyYSOJTQZCXHMSCR-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.83
Rot. Bonds8

About 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one

1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one (PubChem CID 69083322) has the molecular formula C23H26F2N2O4 and a molecular weight of 432.47 g/mol. Its IUPAC name is 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one
PubChem CID69083322
Molecular FormulaC23H26F2N2O4
Molecular Weight432.47 g/mol
Exact Mass432.19
IUPAC Name1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc(OC(F)F)c(C2CC2)c1
InChIInChI=1S/C23H26F2N2O4/c1-29-18-6-4-7-19(30-2)21(18)17-5-3-8-20(28)27(17)13-14-11-16(15-9-10-15)22(26-12-14)31-23(24)25/h4,6-7,11-12,15,17,23H,3,5,8-10,13H2,1-2H3
InChIKeyYSOJTQZCXHMSCR-UHFFFAOYSA-N
XLogP4.83
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The IUPAC name of 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one (CID 69083322) is 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one.
What is the SMILES notation for 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The canonical SMILES for 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc(OC(F)F)c(C2CC2)c1.
What is the InChIKey of 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The InChIKey is YSOJTQZCXHMSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O4/c1-29-18-6-4-7-19(30-2)21(18)17-5-3-8-20(28)27(17)13-14-11-16(15-9-10-15)22(26-12-14)31-23(24)25/h4,6-7,11-12,15,17,23H,3,5,8-10,13H2,1-2H3.
What are the key properties of 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one?
1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one has a molecular weight of 432.47 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-cyclopropyl-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(2,6-dimethoxyphenyl)piperidin-2-one is sourced from PubChem (CID 69083322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).