3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide

C15H22F2N2O3S — CID 96547519

IUPAC3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCOCCN1CCC[C@@H](NC(=O)c2sc(C)cc2OC(F)F)C1
InChIInChI=1S/C15H22F2N2O3S/c1-10-8-12(22-15(16)17)13(23-10)14(20)18-11-4-3-5-19(9-11)6-7-21-2/h8,11,15H,3-7,9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyKUUQKNACGLYDKP-LLVKDONJSA-N
MW348.42 g/mol
LogP2.50
Rot. Bonds7

About 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide

3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide (PubChem CID 96547519) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide
PubChem CID96547519
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCOCCN1CCC[C@@H](NC(=O)c2sc(C)cc2OC(F)F)C1
InChIInChI=1S/C15H22F2N2O3S/c1-10-8-12(22-15(16)17)13(23-10)14(20)18-11-4-3-5-19(9-11)6-7-21-2/h8,11,15H,3-7,9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyKUUQKNACGLYDKP-LLVKDONJSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119504399
6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
CID 75391136
N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
CID 119499716
3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120555716
1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea
CID 97222464
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
CID 71989949
3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 164640969
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 119045845
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide (CID 96547519) is 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide is COCCN1CCC[C@@H](NC(=O)c2sc(C)cc2OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is KUUQKNACGLYDKP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-10-8-12(22-15(16)17)13(23-10)14(20)18-11-4-3-5-19(9-11)6-7-21-2/h8,11,15H,3-7,9H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide?
3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 96547519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).