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

C12H14ClF3N4O — CID 106768259

IUPACN-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14ClF3N4O/c1-7(21)17-8-2-4-20(5-3-8)10-6-9(13)18-11(19-10)12(14,15)16/h6,8H,2-5H2,1H3,(H,17,21)
InChIKeyXTXKLBHWFMDBFM-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.25
Rot. Bonds2

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

N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 106768259) has the molecular formula C12H14ClF3N4O and a molecular weight of 322.72 g/mol. Its IUPAC name is N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID106768259
Molecular FormulaC12H14ClF3N4O
Molecular Weight322.72 g/mol
Exact Mass322.08
IUPAC NameN-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14ClF3N4O/c1-7(21)17-8-2-4-20(5-3-8)10-6-9(13)18-11(19-10)12(14,15)16/h6,8H,2-5H2,1H3,(H,17,21)
InChIKeyXTXKLBHWFMDBFM-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 106768257
N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402560
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767336
N-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 113402704
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 80953701
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
CID 106767758
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 106767915

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 106768259) is N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is XTXKLBHWFMDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N4O/c1-7(21)17-8-2-4-20(5-3-8)10-6-9(13)18-11(19-10)12(14,15)16/h6,8H,2-5H2,1H3,(H,17,21).
What are the key properties of N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 322.72 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 106768259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).