N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide

C21H22F3N3O4 — CID 144867195

IUPACN-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3N3O4/c1-25-19(29)17-3-2-10-26-20(17)30-15-8-11-27(12-9-15)18(28)13-14-4-6-16(7-5-14)31-21(22,23)24/h2-7,10,15H,8-9,11-13H2,1H3,(H,25,29)
InChIKeyCOUGCFQLYSWGHA-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.95
Rot. Bonds6

About N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide

N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 144867195) has the molecular formula C21H22F3N3O4 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID144867195
Molecular FormulaC21H22F3N3O4
Molecular Weight437.42 g/mol
Exact Mass437.16
IUPAC NameN-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3N3O4/c1-25-19(29)17-3-2-10-26-20(17)30-15-8-11-27(12-9-15)18(28)13-14-4-6-16(7-5-14)31-21(22,23)24/h2-7,10,15H,8-9,11-13H2,1H3,(H,25,29)
InChIKeyCOUGCFQLYSWGHA-UHFFFAOYSA-N
XLogP2.95
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
CID 144867204
1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 71798870
2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
CID 67521270
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 140814417
formamide;1-[4-[4-[3-(hydroxymethyl)phenyl]-2-methylphenoxy]piperidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 144867193
5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
CID 144867100
5-[N-methyl-C-(methyliminomethyl)carbonimidoyl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide;propan-1-ol
CID 144867179
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 78880225
tert-butyl-[(3S)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]carbamic acid
CID 67443015
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913890

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide (CID 144867195) is N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide is CNC(=O)c1cccnc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is COUGCFQLYSWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4/c1-25-19(29)17-3-2-10-26-20(17)30-15-8-11-27(12-9-15)18(28)13-14-4-6-16(7-5-14)31-21(22,23)24/h2-7,10,15H,8-9,11-13H2,1H3,(H,25,29).
What are the key properties of N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 144867195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).