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

C17H24F2N2O3 — CID 119045845

IUPAC2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCC(C)C2)c(OC(F)F)c1
InChIInChI=1S/C17H24F2N2O3/c1-12-4-3-8-21(11-12)9-7-20-16(22)14-6-5-13(23-2)10-15(14)24-17(18)19/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3,(H,20,22)
InChIKeyIXMUSAJEYODGDB-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.76
Rot. Bonds7

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

2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 119045845) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID119045845
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCC(C)C2)c(OC(F)F)c1
InChIInChI=1S/C17H24F2N2O3/c1-12-4-3-8-21(11-12)9-7-20-16(22)14-6-5-13(23-2)10-15(14)24-17(18)19/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3,(H,20,22)
InChIKeyIXMUSAJEYODGDB-UHFFFAOYSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 119045783
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 92584070
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111409985
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide (CID 119045845) is 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCN2CCCC(C)C2)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is IXMUSAJEYODGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-12-4-3-8-21(11-12)9-7-20-16(22)14-6-5-13(23-2)10-15(14)24-17(18)19/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 342.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 119045845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).