N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C24H27F3N2O2 — CID 55593185

IUPACN-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cc(C)ccc1C
InChIInChI=1S/C24H27F3N2O2/c1-4-29(21-15-16(2)5-6-17(21)3)23(31)19-11-13-28(14-12-19)22(30)18-7-9-20(10-8-18)24(25,26)27/h5-10,15,19H,4,11-14H2,1-3H3
InChIKeyJWJQERVHBHPDDE-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.23
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55593185) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55593185
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cc(C)ccc1C
InChIInChI=1S/C24H27F3N2O2/c1-4-29(21-15-16(2)5-6-17(21)3)23(31)19-11-13-28(14-12-19)22(30)18-7-9-20(10-8-18)24(25,26)27/h5-10,15,19H,4,11-14H2,1-3H3
InChIKeyJWJQERVHBHPDDE-UHFFFAOYSA-N
XLogP5.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-methyl-N-(2-methylpropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134058944
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593155
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-(2-methoxyethyl)-N-pentan-3-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55663900
N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55652632
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43059958
N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134012078

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 55593185) is N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is JWJQERVHBHPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-4-29(21-15-16(2)5-6-17(21)3)23(31)19-11-13-28(14-12-19)22(30)18-7-9-20(10-8-18)24(25,26)27/h5-10,15,19H,4,11-14H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55593185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).