3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide

C14H14F4N2O2 — CID 108557444

IUPAC3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)c1cccc(F)c1
InChIInChI=1S/C14H14F4N2O2/c15-10-3-1-2-9(8-10)12(21)19-11-4-6-20(7-5-11)13(22)14(16,17)18/h1-3,8,11H,4-7H2,(H,19,21)
InChIKeyCUQYLZTYLOSMKB-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.11
Rot. Bonds2

About 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide

3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (PubChem CID 108557444) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
PubChem CID108557444
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)c1cccc(F)c1
InChIInChI=1S/C14H14F4N2O2/c15-10-3-1-2-9(8-10)12(21)19-11-4-6-20(7-5-11)13(22)14(16,17)18/h1-3,8,11H,4-7H2,(H,19,21)
InChIKeyCUQYLZTYLOSMKB-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
4-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 24792468
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (CID 108557444) is 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)C(F)(F)F)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The InChIKey is CUQYLZTYLOSMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c15-10-3-1-2-9(8-10)12(21)19-11-4-6-20(7-5-11)13(22)14(16,17)18/h1-3,8,11H,4-7H2,(H,19,21).
What are the key properties of 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide has a molecular weight of 318.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108557444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).