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

C15H19F3N2O2 — CID 119283411

IUPACN-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-22-13-3-1-2-11(8-13)9-20-14(21)12-4-6-19-7-5-12/h1-3,8,12,19H,4-7,9-10H2,(H,20,21)
InChIKeyATTMVEQKOXXRFG-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.24
Rot. Bonds5

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

N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119283411) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119283411
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-22-13-3-1-2-11(8-13)9-20-14(21)12-4-6-19-7-5-12/h1-3,8,12,19H,4-7,9-10H2,(H,20,21)
InChIKeyATTMVEQKOXXRFG-UHFFFAOYSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284523
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
2-(2-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55712265
1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907704
1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55780067
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]cycloheptanecarboxamide
CID 86777165

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 119283411) is N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1cccc(OCC(F)(F)F)c1)C1CCNCC1.
What is the InChIKey of N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ATTMVEQKOXXRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)10-22-13-3-1-2-11(8-13)9-20-14(21)12-4-6-19-7-5-12/h1-3,8,12,19H,4-7,9-10H2,(H,20,21).
What are the key properties of N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.24, 5 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]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).