1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C21H20ClF6N3O — CID 55550553

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H20ClF6N3O/c1-30(12-14-4-2-3-5-16(14)21(26,27)28)19(32)13-6-8-31(9-7-13)18-17(22)10-15(11-29-18)20(23,24)25/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyNBAVAYIZXSKBHA-UHFFFAOYSA-N
MW479.85 g/mol
LogP5.65
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55550553) has the molecular formula C21H20ClF6N3O and a molecular weight of 479.85 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID55550553
Molecular FormulaC21H20ClF6N3O
Molecular Weight479.85 g/mol
Exact Mass479.12
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H20ClF6N3O/c1-30(12-14-4-2-3-5-16(14)21(26,27)28)19(32)13-6-8-31(9-7-13)18-17(22)10-15(11-29-18)20(23,24)25/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyNBAVAYIZXSKBHA-UHFFFAOYSA-N
XLogP5.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27774368
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 55408767
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55898448
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 37428901
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-2-(dimethylamino)-1-phenylethyl]piperidine-4-carboxamide
CID 30261332
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 55779683
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxamide
CID 155958739
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558333

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 55550553) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is NBAVAYIZXSKBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF6N3O/c1-30(12-14-4-2-3-5-16(14)21(26,27)28)19(32)13-6-8-31(9-7-13)18-17(22)10-15(11-29-18)20(23,24)25/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 479.85 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55550553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).