1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

C20H20F3N3O2 — CID 31910212

IUPAC1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H20F3N3O2/c1-13-16(7-8-17(24-13)20(21,22)23)19(28)26-11-9-14(10-12-26)18(27)25-15-5-3-2-4-6-15/h2-8,14H,9-12H2,1H3,(H,25,27)
InChIKeyGECJWNDHSMZQES-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.90
Rot. Bonds3

About 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 31910212) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID31910212
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H20F3N3O2/c1-13-16(7-8-17(24-13)20(21,22)23)19(28)26-11-9-14(10-12-26)18(27)25-15-5-3-2-4-6-15/h2-8,14H,9-12H2,1H3,(H,25,27)
InChIKeyGECJWNDHSMZQES-UHFFFAOYSA-N
XLogP3.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119251954
(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134004996
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137791
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093080
(3S,4S)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951143
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 31910212) is 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GECJWNDHSMZQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13-16(7-8-17(24-13)20(21,22)23)19(28)26-11-9-14(10-12-26)18(27)25-15-5-3-2-4-6-15/h2-8,14H,9-12H2,1H3,(H,25,27).
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 31910212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).