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

C16H22ClF3N2O2 — CID 120888968

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-23-11-15(6-8-20-9-7-15)10-21-14(22)12-2-4-13(5-3-12)16(17,18)19;/h2-5,20H,6-11H2,1H3,(H,21,22);1H
InChIKeyYFBLCFMKTXGWIO-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.87
Rot. Bonds5

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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 120888968) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID120888968
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-23-11-15(6-8-20-9-7-15)10-21-14(22)12-2-4-13(5-3-12)16(17,18)19;/h2-5,20H,6-11H2,1H3,(H,21,22);1H
InChIKeyYFBLCFMKTXGWIO-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
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]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 120888541
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 120888542
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride (CID 120888968) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride is COCC1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is YFBLCFMKTXGWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-23-11-15(6-8-20-9-7-15)10-21-14(22)12-2-4-13(5-3-12)16(17,18)19;/h2-5,20H,6-11H2,1H3,(H,21,22);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 120888968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).