2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide

C14H16F3N5O — CID 110090226

IUPAC2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)11-7-10(20-13-19-3-6-22(11)13)9-1-4-21(5-2-9)8-12(18)23/h3,6-7,9H,1-2,4-5,8H2,(H2,18,23)
InChIKeyZTYVNFUEVGRTLT-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.41
Rot. Bonds3

About 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide

2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide (PubChem CID 110090226) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
PubChem CID110090226
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)11-7-10(20-13-19-3-6-22(11)13)9-1-4-21(5-2-9)8-12(18)23/h3,6-7,9H,1-2,4-5,8H2,(H2,18,23)
InChIKeyZTYVNFUEVGRTLT-UHFFFAOYSA-N
XLogP1.41
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide (CID 110090226) is 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The InChIKey is ZTYVNFUEVGRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)11-7-10(20-13-19-3-6-22(11)13)9-1-4-21(5-2-9)8-12(18)23/h3,6-7,9H,1-2,4-5,8H2,(H2,18,23).
What are the key properties of 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110090226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).