(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one

C21H20F4N4O2 — CID 31203885

IUPAC(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F4N4O2/c22-16-3-1-2-4-17(16)29-13-14(11-19(29)30)20(31)28-9-7-27(8-10-28)18-6-5-15(12-26-18)21(23,24)25/h1-6,12,14H,7-11,13H2/t14-/m1/s1
InChIKeyPEABIENUDDRDDV-CQSZACIVSA-N
MW436.41 g/mol
LogP2.94
Rot. Bonds3

About (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 31203885) has the molecular formula C21H20F4N4O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID31203885
Molecular FormulaC21H20F4N4O2
Molecular Weight436.41 g/mol
Exact Mass436.15
IUPAC Name(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F4N4O2/c22-16-3-1-2-4-17(16)29-13-14(11-19(29)30)20(31)28-9-7-27(8-10-28)18-6-5-15(12-26-18)21(23,24)25/h1-6,12,14H,7-11,13H2/t14-/m1/s1
InChIKeyPEABIENUDDRDDV-CQSZACIVSA-N
XLogP2.94
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46663955
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737
1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42652011
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46109813
1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55708388
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
1-(2-fluorophenyl)-4-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43060556
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 31203885) is (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PEABIENUDDRDDV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20F4N4O2/c22-16-3-1-2-4-17(16)29-13-14(11-19(29)30)20(31)28-9-7-27(8-10-28)18-6-5-15(12-26-18)21(23,24)25/h1-6,12,14H,7-11,13H2/t14-/m1/s1.
What are the key properties of (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 436.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 31203885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).