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

C16H22F3N3O2 — CID 138988299

IUPACN-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(COc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C16H22F3N3O2/c1-11(2)21-15(23)22-8-4-5-12(9-22)10-24-14-13(16(17,18)19)6-3-7-20-14/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,21,23)
InChIKeyILFVVAONQRVEEH-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.31
Rot. Bonds4

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

N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide (PubChem CID 138988299) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide
PubChem CID138988299
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(COc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C16H22F3N3O2/c1-11(2)21-15(23)22-8-4-5-12(9-22)10-24-14-13(16(17,18)19)6-3-7-20-14/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,21,23)
InChIKeyILFVVAONQRVEEH-UHFFFAOYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
CID 138988972
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 169223787
tert-butyl (3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 175699659
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
(3S)-3-[(2-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 143633716
N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide
CID 138989107
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113078021
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide (CID 138988299) is N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(COc2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide?
The InChIKey is ILFVVAONQRVEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-11(2)21-15(23)22-8-4-5-12(9-22)10-24-14-13(16(17,18)19)6-3-7-20-14/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,21,23).
What are the key properties of N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide?
N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 138988299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).