2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide

C18H18F4N4O — CID 133440290

IUPAC2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
SMILESCc1cnc(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)nc1
InChIInChI=1S/C18H18F4N4O/c1-11-8-23-17(24-9-11)26-7-6-14(12-2-4-13(19)5-3-12)15(10-26)25-16(27)18(20,21)22/h2-5,8-9,14-15H,6-7,10H2,1H3,(H,25,27)
InChIKeyHDHINAWHLQYCOY-UHFFFAOYSA-N
MW382.36 g/mol
LogP2.97
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide

2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide (PubChem CID 133440290) has the molecular formula C18H18F4N4O and a molecular weight of 382.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
PubChem CID133440290
Molecular FormulaC18H18F4N4O
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC Name2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
SMILESCc1cnc(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)nc1
InChIInChI=1S/C18H18F4N4O/c1-11-8-23-17(24-9-11)26-7-6-14(12-2-4-13(19)5-3-12)15(10-26)25-16(27)18(20,21)22/h2-5,8-9,14-15H,6-7,10H2,1H3,(H,25,27)
InChIKeyHDHINAWHLQYCOY-UHFFFAOYSA-N
XLogP2.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440232
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440214
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
CID 133440300
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(7H-purin-6-yl)piperidin-3-yl]acetamide
CID 133440250
N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440284
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675
N-[(3S,4S)-1-(2-cyanoethyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 129379016
2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
CID 97184037
(1,1-dioxothian-4-yl)-[2-(4-fluorophenyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 118013358
3,5-dimethyl-N-[3-(1-methylpyrazol-4-yl)-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]benzamide;2,2,2-trifluoroacetic acid
CID 155868811
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133435172

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide (CID 133440290) is 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide is Cc1cnc(N2CCC(c3ccc(F)cc3)C(NC(=O)C(F)(F)F)C2)nc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is HDHINAWHLQYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O/c1-11-8-23-17(24-9-11)26-7-6-14(12-2-4-13(19)5-3-12)15(10-26)25-16(27)18(20,21)22/h2-5,8-9,14-15H,6-7,10H2,1H3,(H,25,27).
What are the key properties of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide?
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 382.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133440290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).