2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

C20H19F6N3O2 — CID 55764655

IUPAC2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F6N3O2/c21-19(22,23)14-3-6-17(27-12-14)29-9-7-15(8-10-29)28-18(30)11-13-1-4-16(5-2-13)31-20(24,25)26/h1-6,12,15H,7-11H2,(H,28,30)
InChIKeyARRXVEMYLOLRGM-UHFFFAOYSA-N
MW447.38 g/mol
LogP4.33
Rot. Bonds5

About 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 55764655) has the molecular formula C20H19F6N3O2 and a molecular weight of 447.38 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID55764655
Molecular FormulaC20H19F6N3O2
Molecular Weight447.38 g/mol
Exact Mass447.14
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F6N3O2/c21-19(22,23)14-3-6-17(27-12-14)29-9-7-15(8-10-29)28-18(30)11-13-1-4-16(5-2-13)31-20(24,25)26/h1-6,12,15H,7-11H2,(H,28,30)
InChIKeyARRXVEMYLOLRGM-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
2-[(2-chlorophenyl)methoxy]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55777562
2-(4-propan-2-ylsulfanylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142641
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759
3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142698
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718
2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 46465883

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (CID 55764655) is 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is ARRXVEMYLOLRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N3O2/c21-19(22,23)14-3-6-17(27-12-14)29-9-7-15(8-10-29)28-18(30)11-13-1-4-16(5-2-13)31-20(24,25)26/h1-6,12,15H,7-11H2,(H,28,30).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 447.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55764655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).