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

C16H17F3N4OS — CID 91919283

IUPAC2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(Cc1cccs1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)13-9-14(21-10-20-13)23-5-3-11(4-6-23)22-15(24)8-12-2-1-7-25-12/h1-2,7,9-11H,3-6,8H2,(H,22,24)
InChIKeyCFVCQWYMISUBQO-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.88
Rot. Bonds4

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

2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91919283) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91919283
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(Cc1cccs1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H17F3N4OS/c17-16(18,19)13-9-14(21-10-20-13)23-5-3-11(4-6-23)22-15(24)8-12-2-1-7-25-12/h1-2,7,9-11H,3-6,8H2,(H,22,24)
InChIKeyCFVCQWYMISUBQO-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91919283) is 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is O=C(Cc1cccs1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is CFVCQWYMISUBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c17-16(18,19)13-9-14(21-10-20-13)23-5-3-11(4-6-23)22-15(24)8-12-2-1-7-25-12/h1-2,7,9-11H,3-6,8H2,(H,22,24).
What are the key properties of 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 370.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91919283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).