3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide

C15H21F2N2O2+ — CID 7428120

IUPAC3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide
SMILESCN(C(=O)c1cccc(OC(F)F)c1)C1CC[NH+](C)CC1
InChIInChI=1S/C15H20F2N2O2/c1-18-8-6-12(7-9-18)19(2)14(20)11-4-3-5-13(10-11)21-15(16)17/h3-5,10,12,15H,6-9H2,1-2H3/p+1
InChIKeyVWJGTFCAYDZYOF-UHFFFAOYSA-O
MW299.34 g/mol
LogP1.04
Rot. Bonds4

About 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide

3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide (PubChem CID 7428120) has the molecular formula C15H21F2N2O2+ and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide
PubChem CID7428120
Molecular FormulaC15H21F2N2O2+
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide
SMILESCN(C(=O)c1cccc(OC(F)F)c1)C1CC[NH+](C)CC1
InChIInChI=1S/C15H20F2N2O2/c1-18-8-6-12(7-9-18)19(2)14(20)11-4-3-5-13(10-11)21-15(16)17/h3-5,10,12,15H,6-9H2,1-2H3/p+1
InChIKeyVWJGTFCAYDZYOF-UHFFFAOYSA-O
XLogP1.04
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
[3-(difluoromethoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 2312190
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide
CID 2314263
N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide
CID 2312425
3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735708
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
N-methyl-N-piperidin-3-yl-3-propan-2-yloxybenzamide
CID 62920144
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 96581020
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide (CID 7428120) is 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide is CN(C(=O)c1cccc(OC(F)F)c1)C1CC[NH+](C)CC1.
What is the InChIKey of 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide?
The InChIKey is VWJGTFCAYDZYOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20F2N2O2/c1-18-8-6-12(7-9-18)19(2)14(20)11-4-3-5-13(10-11)21-15(16)17/h3-5,10,12,15H,6-9H2,1-2H3/p+1.
What are the key properties of 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide?
3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide has a molecular weight of 299.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide is sourced from PubChem (CID 7428120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).