N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

C20H20F3N3O2 — CID 108924696

IUPACN-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)17-6-2-1-5-16(17)19(28)26-10-7-14(8-11-26)12-25-18(27)15-4-3-9-24-13-15/h1-6,9,13-14H,7-8,10-12H2,(H,25,27)
InChIKeyGBDMVZXOONXSFO-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.38
Rot. Bonds4

About N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 108924696) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID108924696
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)17-6-2-1-5-16(17)19(28)26-10-7-14(8-11-26)12-25-18(27)15-4-3-9-24-13-15/h1-6,9,13-14H,7-8,10-12H2,(H,25,27)
InChIKeyGBDMVZXOONXSFO-UHFFFAOYSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86263573
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 108924696) is N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccnc1.
What is the InChIKey of N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is GBDMVZXOONXSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)17-6-2-1-5-16(17)19(28)26-10-7-14(8-11-26)12-25-18(27)15-4-3-9-24-13-15/h1-6,9,13-14H,7-8,10-12H2,(H,25,27).
What are the key properties of N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).