N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride

C16H22ClF3N2O3 — CID 171393402

IUPACN-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCOCCNC(=O)c1cc(C2CCNCC2)ccc1OC(F)(F)F.Cl
InChIInChI=1S/C16H21F3N2O3.ClH/c1-23-9-8-21-15(22)13-10-12(11-4-6-20-7-5-11)2-3-14(13)24-16(17,18)19;/h2-3,10-11,20H,4-9H2,1H3,(H,21,22);1H
InChIKeyZVJZNBCTHCSOPF-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.85
Rot. Bonds6

About N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride

N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride (PubChem CID 171393402) has the molecular formula C16H22ClF3N2O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
PubChem CID171393402
Molecular FormulaC16H22ClF3N2O3
Molecular Weight382.81 g/mol
Exact Mass382.13
IUPAC NameN-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCOCCNC(=O)c1cc(C2CCNCC2)ccc1OC(F)(F)F.Cl
InChIInChI=1S/C16H21F3N2O3.ClH/c1-23-9-8-21-15(22)13-10-12(11-4-6-20-7-5-11)2-3-14(13)24-16(17,18)19;/h2-3,10-11,20H,4-9H2,1H3,(H,21,22);1H
InChIKeyZVJZNBCTHCSOPF-UHFFFAOYSA-N
XLogP2.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393398
N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393396
4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001167
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185
N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide
CID 171361782
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
CID 171365222
N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361829
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166001197
methyl 2-methyl-2-[4-piperidin-4-yl-2-(trifluoromethyl)phenoxy]propanoate
CID 170758902
ethane;methyl 4-piperidin-4-yl-2-(trifluoromethyl)benzoate
CID 170758523
N,2-dimethyl-5-piperidin-4-ylbenzamide
CID 171361874
N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride (CID 171393402) is N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride is COCCNC(=O)c1cc(C2CCNCC2)ccc1OC(F)(F)F.Cl.
What is the InChIKey of N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The InChIKey is ZVJZNBCTHCSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3.ClH/c1-23-9-8-21-15(22)13-10-12(11-4-6-20-7-5-11)2-3-14(13)24-16(17,18)19;/h2-3,10-11,20H,4-9H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride has a molecular weight of 382.81 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 171393402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).