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

C15H20ClF3N2O2 — CID 119277649

IUPACN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OCC(F)(F)F)cc1)C1CCCNC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)10-22-13-5-3-11(4-6-13)8-20-14(21)12-2-1-7-19-9-12;/h3-6,12,19H,1-2,7-10H2,(H,20,21);1H
InChIKeySVBBPKSYZXQKCY-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.67
Rot. Bonds5

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

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119277649) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119277649
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OCC(F)(F)F)cc1)C1CCCNC1
InChIInChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)10-22-13-5-3-11(4-6-13)8-20-14(21)12-2-1-7-19-9-12;/h3-6,12,19H,1-2,7-10H2,(H,20,21);1H
InChIKeySVBBPKSYZXQKCY-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
CID 119312808
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
9-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984689
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119277649) is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(OCC(F)(F)F)cc1)C1CCCNC1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is SVBBPKSYZXQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c16-15(17,18)10-22-13-5-3-11(4-6-13)8-20-14(21)12-2-1-7-19-9-12;/h3-6,12,19H,1-2,7-10H2,(H,20,21);1H.
What are the key properties of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119277649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).