N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

C22H23F3N2O2 — CID 50804384

IUPACN-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C22H23F3N2O2/c1-2-15-6-3-10-19(12-15)26-20(28)17-8-5-11-27(14-17)21(29)16-7-4-9-18(13-16)22(23,24)25/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3,(H,26,28)
InChIKeyZRDKBOILSURVFU-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.76
Rot. Bonds4

About N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (PubChem CID 50804384) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
PubChem CID50804384
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C22H23F3N2O2/c1-2-15-6-3-10-19(12-15)26-20(28)17-8-5-11-27(14-17)21(29)16-7-4-9-18(13-16)22(23,24)25/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3,(H,26,28)
InChIKeyZRDKBOILSURVFU-UHFFFAOYSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804308
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804362
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (CID 50804384) is N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is CCc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is ZRDKBOILSURVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-2-15-6-3-10-19(12-15)26-20(28)17-8-5-11-27(14-17)21(29)16-7-4-9-18(13-16)22(23,24)25/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3,(H,26,28).
What are the key properties of N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50804384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).