N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C22H26F3N3O — CID 55758731

IUPACN-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3N3O/c1-16(2)28(14-17-8-4-3-5-9-17)21(29)18-10-7-13-27(15-18)20-19(22(23,24)25)11-6-12-26-20/h3-6,8-9,11-12,16,18H,7,10,13-15H2,1-2H3
InChIKeyYZKCVCOTULZLBO-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.75
Rot. Bonds5

About N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55758731) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55758731
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC NameN-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3N3O/c1-16(2)28(14-17-8-4-3-5-9-17)21(29)18-10-7-13-27(15-18)20-19(22(23,24)25)11-6-12-26-20/h3-6,8-9,11-12,16,18H,7,10,13-15H2,1-2H3
InChIKeyYZKCVCOTULZLBO-UHFFFAOYSA-N
XLogP4.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 124686664
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
2-[2-methoxyethyl-[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]acetic acid
CID 125151867
N-[2-(N-methylanilino)ethyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55713142
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712374
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55999687
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55974457
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride
CID 120820185
N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55910572

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55758731) is N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is YZKCVCOTULZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O/c1-16(2)28(14-17-8-4-3-5-9-17)21(29)18-10-7-13-27(15-18)20-19(22(23,24)25)11-6-12-26-20/h3-6,8-9,11-12,16,18H,7,10,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55758731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).