N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C14H17ClF4N2O2 — CID 119705583

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCNCC1.Cl
InChIInChI=1S/C14H16F4N2O2.ClH/c1-22-13(4-6-19-7-5-13)12(21)20-11-8-9(14(16,17)18)2-3-10(11)15;/h2-3,8,19H,4-7H2,1H3,(H,20,21);1H
InChIKeyAFYZDJUCOPFMBF-UHFFFAOYSA-N
MW356.75 g/mol
LogP2.97
Rot. Bonds3

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119705583) has the molecular formula C14H17ClF4N2O2 and a molecular weight of 356.75 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119705583
Molecular FormulaC14H17ClF4N2O2
Molecular Weight356.75 g/mol
Exact Mass356.09
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCNCC1.Cl
InChIInChI=1S/C14H16F4N2O2.ClH/c1-22-13(4-6-19-7-5-13)12(21)20-11-8-9(14(16,17)18)2-3-10(11)15;/h2-3,8,19H,4-7H2,1H3,(H,20,21);1H
InChIKeyAFYZDJUCOPFMBF-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119673285
N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide
CID 119812880
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-(4-methoxy-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119709494
N-(4,5-dimethoxy-2-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119679109
1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 63037709
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119819398
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119705583) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCNCC1.Cl.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is AFYZDJUCOPFMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2.ClH/c1-22-13(4-6-19-7-5-13)12(21)20-11-8-9(14(16,17)18)2-3-10(11)15;/h2-3,8,19H,4-7H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 356.75 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119705583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).