4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

C19H17F6N3O — CID 46475049

IUPAC4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)13-3-1-12(2-4-13)17(29)27-15-7-9-28(10-8-15)16-6-5-14(11-26-16)19(23,24)25/h1-6,11,15H,7-10H2,(H,27,29)
InChIKeyLGKHDXFCXXJKIL-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.52
Rot. Bonds3

About 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 46475049) has the molecular formula C19H17F6N3O and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
PubChem CID46475049
Molecular FormulaC19H17F6N3O
Molecular Weight417.35 g/mol
Exact Mass417.13
IUPAC Name4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)13-3-1-12(2-4-13)17(29)27-15-7-9-28(10-8-15)16-6-5-14(11-26-16)19(23,24)25/h1-6,11,15H,7-10H2,(H,27,29)
InChIKeyLGKHDXFCXXJKIL-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46466116
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (CID 46475049) is 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
The InChIKey is LGKHDXFCXXJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N3O/c20-18(21,22)13-3-1-12(2-4-13)17(29)27-15-7-9-28(10-8-15)16-6-5-14(11-26-16)19(23,24)25/h1-6,11,15H,7-10H2,(H,27,29).
What are the key properties of 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 417.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46475049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).