N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

C18H26ClF3N2O3 — CID 120890400

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)Oc2ccccc2C(F)(F)F)CCNCC1.Cl
InChIInChI=1S/C18H25F3N2O3.ClH/c1-13(26-15-6-4-3-5-14(15)18(19,20)21)16(24)23-11-17(12-25-2)7-9-22-10-8-17;/h3-6,13,22H,7-12H2,1-2H3,(H,23,24);1H
InChIKeyTYZHTLFZGAQVMP-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.03
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (PubChem CID 120890400) has the molecular formula C18H26ClF3N2O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
PubChem CID120890400
Molecular FormulaC18H26ClF3N2O3
Molecular Weight410.86 g/mol
Exact Mass410.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)Oc2ccccc2C(F)(F)F)CCNCC1.Cl
InChIInChI=1S/C18H25F3N2O3.ClH/c1-13(26-15-6-4-3-5-14(15)18(19,20)21)16(24)23-11-17(12-25-2)7-9-22-10-8-17;/h3-6,13,22H,7-12H2,1-2H3,(H,23,24);1H
InChIKeyTYZHTLFZGAQVMP-UHFFFAOYSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890520
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888337
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
2-(3,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890512
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (CID 120890400) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is COCC1(CNC(=O)C(C)Oc2ccccc2C(F)(F)F)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The InChIKey is TYZHTLFZGAQVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3.ClH/c1-13(26-15-6-4-3-5-14(15)18(19,20)21)16(24)23-11-17(12-25-2)7-9-22-10-8-17;/h3-6,13,22H,7-12H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride has a molecular weight of 410.86 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is sourced from PubChem (CID 120890400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).