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

C14H18ClF3N2O2 — CID 119291452

IUPACN-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCC(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-12-5-1-4-11(7-12)19-13(20)10-3-2-6-18-8-10;/h1,4-5,7,10,18H,2-3,6,8-9H2,(H,19,20);1H
InChIKeyUZVMWSGNBFSHDH-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.99
Rot. Bonds4

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

N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119291452) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119291452
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCC(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-12-5-1-4-11(7-12)19-13(20)10-3-2-6-18-8-10;/h1,4-5,7,10,18H,2-3,6,8-9H2,(H,19,20);1H
InChIKeyUZVMWSGNBFSHDH-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119303125
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N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
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N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
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CID 119324692
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
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N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
CID 156839339

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119291452) is N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(OCC(F)(F)F)c1)C1CCCNC1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is UZVMWSGNBFSHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-12-5-1-4-11(7-12)19-13(20)10-3-2-6-18-8-10;/h1,4-5,7,10,18H,2-3,6,8-9H2,(H,19,20);1H.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119291452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).