2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

C15H20F2N2O3 — CID 86907097

IUPAC2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C)CC2)c1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-19-8-6-10(7-9-19)18-14(20)11-4-3-5-12(21-2)13(11)22-15(16)17/h3-5,10,15H,6-9H2,1-2H3,(H,18,20)
InChIKeyNWLKPEZBKINHFZ-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.12
Rot. Bonds5

About 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 86907097) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID86907097
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C)CC2)c1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-19-8-6-10(7-9-19)18-14(20)11-4-3-5-12(21-2)13(11)22-15(16)17/h3-5,10,15H,6-9H2,1-2H3,(H,18,20)
InChIKeyNWLKPEZBKINHFZ-UHFFFAOYSA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
CID 51154491
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N'-[2-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 78813477
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (CID 86907097) is 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is COc1cccc(C(=O)NC2CCN(C)CC2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is NWLKPEZBKINHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-19-8-6-10(7-9-19)18-14(20)11-4-3-5-12(21-2)13(11)22-15(16)17/h3-5,10,15H,6-9H2,1-2H3,(H,18,20).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 314.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 86907097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).