N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H20ClF3N2O — CID 71937760

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H20ClF3N2O/c17-14-5-3-12(4-6-14)7-8-21-15(23)13-2-1-9-22(10-13)11-16(18,19)20/h3-6,13H,1-2,7-11H2,(H,21,23)
InChIKeyCSOXFQMVNSMDHE-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71937760) has the molecular formula C16H20ClF3N2O and a molecular weight of 348.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71937760
Molecular FormulaC16H20ClF3N2O
Molecular Weight348.80 g/mol
Exact Mass348.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H20ClF3N2O/c17-14-5-3-12(4-6-14)7-8-21-15(23)13-2-1-9-22(10-13)11-16(18,19)20/h3-6,13H,1-2,7-11H2,(H,21,23)
InChIKeyCSOXFQMVNSMDHE-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71937760) is N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is CSOXFQMVNSMDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O/c17-14-5-3-12(4-6-14)7-8-21-15(23)13-2-1-9-22(10-13)11-16(18,19)20/h3-6,13H,1-2,7-11H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 348.80 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71937760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).