N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide

C14H18F4N4O — CID 165431801

IUPACN-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C14H18F4N4O/c1-9-20-11(14(16,17)18)7-12(21-9)22-5-3-13(15,4-6-22)8-19-10(2)23/h7H,3-6,8H2,1-2H3,(H,19,23)
InChIKeyWXGZQDVPLJNWDA-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.25
Rot. Bonds3

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

N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 165431801) has the molecular formula C14H18F4N4O and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
PubChem CID165431801
Molecular FormulaC14H18F4N4O
Molecular Weight334.32 g/mol
Exact Mass334.14
IUPAC NameN-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C14H18F4N4O/c1-9-20-11(14(16,17)18)7-12(21-9)22-5-3-13(15,4-6-22)8-19-10(2)23/h7H,3-6,8H2,1-2H3,(H,19,23)
InChIKeyWXGZQDVPLJNWDA-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(trifluoromethyl)pyrimidin-2(1H)-one
CID 9983667
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one
CID 10390058
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxypyrimidin-2(1H)-one
CID 10456628
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxy-5-(trifluoromethyl)pyrimidin-2(1H)-one
CID 44406899
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-(cyclohexylmethyl)urea
CID 44409730
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-methylpiperazine-1-carboxamide
CID 73669717
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-ethylpiperazine-1-carboxamide
CID 73669718
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(cyclopropylmethyl)piperazine-1-carboxamide
CID 73669893

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide (CID 165431801) is N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1(F)CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is WXGZQDVPLJNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N4O/c1-9-20-11(14(16,17)18)7-12(21-9)22-5-3-13(15,4-6-22)8-19-10(2)23/h7H,3-6,8H2,1-2H3,(H,19,23).
What are the key properties of N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 334.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 165431801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).