N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C14H17F5N4O — CID 175648415

IUPACN-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(c2cc(C(F)(F)F)ncn2)CC1)NCC(F)F
InChIInChI=1S/C14H17F5N4O/c15-11(16)7-20-13(24)5-9-1-3-23(4-2-9)12-6-10(14(17,18)19)21-8-22-12/h6,8-9,11H,1-5,7H2,(H,20,24)
InChIKeyLGGUTUZZXFBWSM-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.48
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 175648415) has the molecular formula C14H17F5N4O and a molecular weight of 352.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID175648415
Molecular FormulaC14H17F5N4O
Molecular Weight352.31 g/mol
Exact Mass352.13
IUPAC NameN-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(c2cc(C(F)(F)F)ncn2)CC1)NCC(F)F
InChIInChI=1S/C14H17F5N4O/c15-11(16)7-20-13(24)5-9-1-3-23(4-2-9)12-6-10(14(17,18)19)21-8-22-12/h6,8-9,11H,1-5,7H2,(H,20,24)
InChIKeyLGGUTUZZXFBWSM-UHFFFAOYSA-N
XLogP2.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648477
N-(2,2-difluoroethyl)-2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648431
N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648849
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
N-[(3,5-difluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892463
N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892464
4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 166602956
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 175648415) is N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is O=C(CC1CCN(c2cc(C(F)(F)F)ncn2)CC1)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is LGGUTUZZXFBWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N4O/c15-11(16)7-20-13(24)5-9-1-3-23(4-2-9)12-6-10(14(17,18)19)21-8-22-12/h6,8-9,11H,1-5,7H2,(H,20,24).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 352.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 175648415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).