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

C14H18ClF3N2O2 — CID 119698605

IUPAC(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCCN1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-11-6-4-10(5-7-11)19-13(20)12-3-1-2-8-18-12;/h4-7,12,18H,1-3,8-9H2,(H,19,20);1H/t12-;/m1./s1
InChIKeyZJIIYGFEVKTEPD-UTONKHPSSA-N
MW338.76 g/mol
LogP3.13
Rot. Bonds4

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

(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119698605) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119698605
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC Name(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCCN1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-11-6-4-10(5-7-11)19-13(20)12-3-1-2-8-18-12;/h4-7,12,18H,1-3,8-9H2,(H,19,20);1H/t12-;/m1./s1
InChIKeyZJIIYGFEVKTEPD-UTONKHPSSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
CID 64564189
N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119276081
(2R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-2-carboxamide
CID 103813549
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119698605) is (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZJIIYGFEVKTEPD-UTONKHPSSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-11-6-4-10(5-7-11)19-13(20)12-3-1-2-8-18-12;/h4-7,12,18H,1-3,8-9H2,(H,19,20);1H/t12-;/m1./s1.
What are the key properties of (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 338.76 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 (2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119698605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).