4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide

C21H20F4N2O2 — CID 42356810

IUPAC4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H20F4N2O2/c22-18-8-6-15(7-9-18)19(28)26-12-14-3-2-10-27(13-14)20(29)16-4-1-5-17(11-16)21(23,24)25/h1,4-9,11,14H,2-3,10,12-13H2,(H,26,28)/t14-/m1/s1
InChIKeyUSSMYJDOSHSGFY-CQSZACIVSA-N
MW408.40 g/mol
LogP4.13
Rot. Bonds4

About 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide

4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide (PubChem CID 42356810) has the molecular formula C21H20F4N2O2 and a molecular weight of 408.40 g/mol. Its IUPAC name is 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
PubChem CID42356810
Molecular FormulaC21H20F4N2O2
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Name4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H20F4N2O2/c22-18-8-6-15(7-9-18)19(28)26-12-14-3-2-10-27(13-14)20(29)16-4-1-5-17(11-16)21(23,24)25/h1,4-9,11,14H,2-3,10,12-13H2,(H,26,28)/t14-/m1/s1
InChIKeyUSSMYJDOSHSGFY-CQSZACIVSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
CID 45237908
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63264345
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
[3-(4-fluorophenyl)azepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121130934
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide (CID 42356810) is 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide is O=C(NC[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is USSMYJDOSHSGFY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20F4N2O2/c22-18-8-6-15(7-9-18)19(28)26-12-14-3-2-10-27(13-14)20(29)16-4-1-5-17(11-16)21(23,24)25/h1,4-9,11,14H,2-3,10,12-13H2,(H,26,28)/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide?
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 408.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42356810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).