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

C18H18F4N4O — CID 91809825

IUPAC2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F4N4O/c19-13-3-1-12(2-4-13)9-17(27)25-14-5-7-26(8-6-14)16-10-15(18(20,21)22)23-11-24-16/h1-4,10-11,14H,5-9H2,(H,25,27)
InChIKeyGMNYLJIKRISTIU-UHFFFAOYSA-N
MW382.36 g/mol
LogP2.96
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91809825) has the molecular formula C18H18F4N4O and a molecular weight of 382.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91809825
Molecular FormulaC18H18F4N4O
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC Name2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F4N4O/c19-13-3-1-12(2-4-13)9-17(27)25-14-5-7-26(8-6-14)16-10-15(18(20,21)22)23-11-24-16/h1-4,10-11,14H,5-9H2,(H,25,27)
InChIKeyGMNYLJIKRISTIU-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91809825) is 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is GMNYLJIKRISTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O/c19-13-3-1-12(2-4-13)9-17(27)25-14-5-7-26(8-6-14)16-10-15(18(20,21)22)23-11-24-16/h1-4,10-11,14H,5-9H2,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 382.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91809825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).