N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide

C15H22F3N5O — CID 133274929

IUPACN-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N5O/c1-10(24)19-8-11-5-4-6-23(9-11)14-20-12(15(16,17)18)7-13(21-14)22(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,19,24)
InChIKeyJJBSEEIWBSPLOE-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.91
Rot. Bonds4

About N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide

N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide (PubChem CID 133274929) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide
PubChem CID133274929
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC NameN-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N5O/c1-10(24)19-8-11-5-4-6-23(9-11)14-20-12(15(16,17)18)7-13(21-14)22(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,19,24)
InChIKeyJJBSEEIWBSPLOE-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide (CID 133274929) is N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide?
The InChIKey is JJBSEEIWBSPLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-10(24)19-8-11-5-4-6-23(9-11)14-20-12(15(16,17)18)7-13(21-14)22(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,19,24).
What are the key properties of N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide?
N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 133274929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).