N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C20H27F3N2O2 — CID 165431842

IUPACN-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(Cc2ccccc2C(F)(F)F)CC1)NC1CCOCC1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)18-4-2-1-3-16(18)14-25-9-5-15(6-10-25)13-19(26)24-17-7-11-27-12-8-17/h1-4,15,17H,5-14H2,(H,24,26)
InChIKeyJYYRISNBXRPHRP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.60
Rot. Bonds5

About N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 165431842) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID165431842
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(Cc2ccccc2C(F)(F)F)CC1)NC1CCOCC1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)18-4-2-1-3-16(18)14-25-9-5-15(6-10-25)13-19(26)24-17-7-11-27-12-8-17/h1-4,15,17H,5-14H2,(H,24,26)
InChIKeyJYYRISNBXRPHRP-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
CID 171691368
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 155981100
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
CID 165431469
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432875

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 165431842) is N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is O=C(CC1CCN(Cc2ccccc2C(F)(F)F)CC1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JYYRISNBXRPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c21-20(22,23)18-4-2-1-3-16(18)14-25-9-5-15(6-10-25)13-19(26)24-17-7-11-27-12-8-17/h1-4,15,17H,5-14H2,(H,24,26).
What are the key properties of N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 165431842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).