N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide

C19H20F3N3O — CID 86263573

IUPACN-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)17-4-2-1-3-16(17)18(26)24-13-14-7-11-25(12-8-14)15-5-9-23-10-6-15/h1-6,9-10,14H,7-8,11-13H2,(H,24,26)
InChIKeyGAXROEZPSSKDDE-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.75
Rot. Bonds4

About N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 86263573) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID86263573
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)17-4-2-1-3-16(17)18(26)24-13-14-7-11-25(12-8-14)15-5-9-23-10-6-15/h1-6,9-10,14H,7-8,11-13H2,(H,24,26)
InChIKeyGAXROEZPSSKDDE-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16896225
1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
CID 136520105
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 71786309
tert-butyl N-[3-oxo-3-[4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]propyl]carbamate
CID 108919362
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide (CID 86263573) is N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is GAXROEZPSSKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)17-4-2-1-3-16(17)18(26)24-13-14-7-11-25(12-8-14)15-5-9-23-10-6-15/h1-6,9-10,14H,7-8,11-13H2,(H,24,26).
What are the key properties of N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 86263573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).