2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide

C15H21F3N4O — CID 163357546

IUPAC2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H21F3N4O/c1-14(2,3)12(23)20-10-5-4-8-22(9-10)13-19-7-6-11(21-13)15(16,17)18/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyIWGGXAORXCFNKZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.63
Rot. Bonds2

About 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide

2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide (PubChem CID 163357546) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
PubChem CID163357546
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H21F3N4O/c1-14(2,3)12(23)20-10-5-4-8-22(9-10)13-19-7-6-11(21-13)15(16,17)18/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyIWGGXAORXCFNKZ-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357564
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
pyridin-3-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 72933635
pyridin-3-yl-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 97153254
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350937
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 163354691
(3S)-3-methylsulfanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 124590786

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide (CID 163357546) is 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide is CC(C)(C)C(=O)NC1CCCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide?
The InChIKey is IWGGXAORXCFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-14(2,3)12(23)20-10-5-4-8-22(9-10)13-19-7-6-11(21-13)15(16,17)18/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide?
2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 163357546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).