1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C16H21F3N2O2 — CID 54007816

IUPAC1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2OC)C1
InChIInChI=1S/C16H21F3N2O2/c1-3-21-8-4-5-11(10-21)15(22)20-13-9-12(16(17,18)19)6-7-14(13)23-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,22)
InChIKeyKQDAEYCHSJOZJX-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.38
Rot. Bonds4

About 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 54007816) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID54007816
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2OC)C1
InChIInChI=1S/C16H21F3N2O2/c1-3-21-8-4-5-11(10-21)15(22)20-13-9-12(16(17,18)19)6-7-14(13)23-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,22)
InChIKeyKQDAEYCHSJOZJX-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924034
N-(2,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920049
N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071096
(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447130
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923801
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924033
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920044
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 54007816) is 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CCN1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2OC)C1.
What is the InChIKey of 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is KQDAEYCHSJOZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-3-21-8-4-5-11(10-21)15(22)20-13-9-12(16(17,18)19)6-7-14(13)23-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,22).
What are the key properties of 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 54007816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).