(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide

C22H23F3N2O4 — CID 25297991

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1
InChIInChI=1S/C22H23F3N2O4/c1-30-17-8-9-18(19(12-17)31-2)26-21(29)27-10-4-6-15(13-27)20(28)14-5-3-7-16(11-14)22(23,24)25/h3,5,7-9,11-12,15H,4,6,10,13H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyWFXBAFUSILJGIW-OAHLLOKOSA-N
MW436.43 g/mol
LogP4.85
Rot. Bonds5

About (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide

(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide (PubChem CID 25297991) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
PubChem CID25297991
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1
InChIInChI=1S/C22H23F3N2O4/c1-30-17-8-9-18(19(12-17)31-2)26-21(29)27-10-4-6-15(13-27)20(28)14-5-3-7-16(11-14)22(23,24)25/h3,5,7-9,11-12,15H,4,6,10,13H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyWFXBAFUSILJGIW-OAHLLOKOSA-N
XLogP4.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 45171215
methyl 5-oxo-5-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]pentanoate
CID 45240231
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087463
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 42395615
N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804362
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42392398
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide (CID 25297991) is (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
The InChIKey is WFXBAFUSILJGIW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-30-17-8-9-18(19(12-17)31-2)26-21(29)27-10-4-6-15(13-27)20(28)14-5-3-7-16(11-14)22(23,24)25/h3,5,7-9,11-12,15H,4,6,10,13H2,1-2H3,(H,26,29)/t15-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide?
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide is sourced from PubChem (CID 25297991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).