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

C17H23F3N2O — CID 119329896

IUPACN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCNC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-3-22(16(23)14-7-5-9-21-11-14)12(2)13-6-4-8-15(10-13)17(18,19)20/h4,6,8,10,12,14,21H,3,5,7,9,11H2,1-2H3
InChIKeyPBTWDXGBLKUWLE-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.61
Rot. Bonds4

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

N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 119329896) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID119329896
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCNC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-3-22(16(23)14-7-5-9-21-11-14)12(2)13-6-4-8-15(10-13)17(18,19)20/h4,6,8,10,12,14,21H,3,5,7,9,11H2,1-2H3
InChIKeyPBTWDXGBLKUWLE-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119794789
N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
CID 66183131
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813208
(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 119329896) is N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is CCN(C(=O)C1CCCNC1)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is PBTWDXGBLKUWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-3-22(16(23)14-7-5-9-21-11-14)12(2)13-6-4-8-15(10-13)17(18,19)20/h4,6,8,10,12,14,21H,3,5,7,9,11H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119329896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).