4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C15H19F3N2O — CID 63127198

IUPAC4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C15H19F3N2O/c1-2-14(7-9-19-10-8-14)13(21)20-12-5-3-11(4-6-12)15(16,17)18/h3-6,19H,2,7-10H2,1H3,(H,20,21)
InChIKeyFQMYUOZLLMGRTB-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.42
Rot. Bonds3

About 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 63127198) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID63127198
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C15H19F3N2O/c1-2-14(7-9-19-10-8-14)13(21)20-12-5-3-11(4-6-12)15(16,17)18/h3-6,19H,2,7-10H2,1H3,(H,20,21)
InChIKeyFQMYUOZLLMGRTB-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 17071382
1-(3-methylpyrrolidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107423119
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63138744
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 63127198) is 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCNCC1.
What is the InChIKey of 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is FQMYUOZLLMGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-14(7-9-19-10-8-14)13(21)20-12-5-3-11(4-6-12)15(16,17)18/h3-6,19H,2,7-10H2,1H3,(H,20,21).
What are the key properties of 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 63127198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).