N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide

C23H22F4N4O — CID 11504356

IUPACN-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C23H22F4N4O/c24-19-2-4-20(5-3-19)29-22(32)17-8-10-30(11-9-17)14-16-7-12-31(15-16)21-6-1-18(13-28-21)23(25,26)27/h1-7,12-13,15,17H,8-11,14H2,(H,29,32)
InChIKeyRGUIMGZOVYSYAV-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.88
Rot. Bonds5

About N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide

N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 11504356) has the molecular formula C23H22F4N4O and a molecular weight of 446.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
PubChem CID11504356
Molecular FormulaC23H22F4N4O
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC NameN-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C23H22F4N4O/c24-19-2-4-20(5-3-19)29-22(32)17-8-10-30(11-9-17)14-16-7-12-31(15-16)21-6-1-18(13-28-21)23(25,26)27/h1-7,12-13,15,17H,8-11,14H2,(H,29,32)
InChIKeyRGUIMGZOVYSYAV-UHFFFAOYSA-N
XLogP4.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 40921983
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
N-[phenyl(pyridin-2-yl)methyl]-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
CID 11548096
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
CID 11519308
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
N-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
CID 11511427
1-[[4-oxo-7-(trifluoromethyl)-3H-quinazolin-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 154747536
(3R,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565447
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565446

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide (CID 11504356) is N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is RGUIMGZOVYSYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O/c24-19-2-4-20(5-3-19)29-22(32)17-8-10-30(11-9-17)14-16-7-12-31(15-16)21-6-1-18(13-28-21)23(25,26)27/h1-7,12-13,15,17H,8-11,14H2,(H,29,32).
What are the key properties of N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 11504356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).