N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride

C14H17ClF4N2O2 — CID 119324692

IUPACN-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)cc1OCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H16F4N2O2.ClH/c15-10-3-4-11(12(6-10)22-8-14(16,17)18)20-13(21)9-2-1-5-19-7-9;/h3-4,6,9,19H,1-2,5,7-8H2,(H,20,21);1H
InChIKeyUQSYKKCHTLNXEK-UHFFFAOYSA-N
MW356.75 g/mol
LogP3.13
Rot. Bonds4

About N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride

N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119324692) has the molecular formula C14H17ClF4N2O2 and a molecular weight of 356.75 g/mol. Its IUPAC name is N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119324692
Molecular FormulaC14H17ClF4N2O2
Molecular Weight356.75 g/mol
Exact Mass356.09
IUPAC NameN-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)cc1OCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H16F4N2O2.ClH/c15-10-3-4-11(12(6-10)22-8-14(16,17)18)20-13(21)9-2-1-5-19-7-9;/h3-4,6,9,19H,1-2,5,7-8H2,(H,20,21);1H
InChIKeyUQSYKKCHTLNXEK-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
(2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide
CID 146122027
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119321171
methyl 4-(piperidine-4-carbonylamino)-3-(2,2,2-trifluoroethoxy)benzoate;hydrochloride
CID 119314709
2-[[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185192
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119324692) is N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(F)cc1OCC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is UQSYKKCHTLNXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2.ClH/c15-10-3-4-11(12(6-10)22-8-14(16,17)18)20-13(21)9-2-1-5-19-7-9;/h3-4,6,9,19H,1-2,5,7-8H2,(H,20,21);1H.
What are the key properties of N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 356.75 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119324692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).