4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

C16H23ClF2N2O4S — CID 120889912

IUPAC4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O4S.ClH/c1-24-11-16(6-8-19-9-7-16)10-20-14(21)12-2-4-13(5-3-12)25(22,23)15(17)18;/h2-5,15,19H,6-11H2,1H3,(H,20,21);1H
InChIKeyCJTKAYANTPFSKZ-UHFFFAOYSA-N
MW412.89 g/mol
LogP1.85
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (PubChem CID 120889912) has the molecular formula C16H23ClF2N2O4S and a molecular weight of 412.89 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
PubChem CID120889912
Molecular FormulaC16H23ClF2N2O4S
Molecular Weight412.89 g/mol
Exact Mass412.10
IUPAC Name4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O4S.ClH/c1-24-11-16(6-8-19-9-7-16)10-20-14(21)12-2-4-13(5-3-12)25(22,23)15(17)18;/h2-5,15,19H,6-11H2,1H3,(H,20,21);1H
InChIKeyCJTKAYANTPFSKZ-UHFFFAOYSA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 120889360
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide
CID 120888691
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16572718
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (CID 120889912) is 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is COCC1(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is CJTKAYANTPFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O4S.ClH/c1-24-11-16(6-8-19-9-7-16)10-20-14(21)12-2-4-13(5-3-12)25(22,23)15(17)18;/h2-5,15,19H,6-11H2,1H3,(H,20,21);1H.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 412.89 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120889912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).