(4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C25H24FN3O3 — CID 162624754

IUPAC(4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1
InChIInChI=1S/C25H24FN3O3/c26-20-7-3-18(4-8-20)19-5-9-21(10-6-19)29-17-22(16-24(29)30)27-11-13-28(14-12-27)25(31)23-2-1-15-32-23/h1-10,15,22H,11-14,16-17H2/t22-/m1/s1
InChIKeyHVVLTSHAUJYILM-JOCHJYFZSA-N
MW433.48 g/mol
LogP3.65
Rot. Bonds4

About (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

(4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 162624754) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID162624754
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name(4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1
InChIInChI=1S/C25H24FN3O3/c26-20-7-3-18(4-8-20)19-5-9-21(10-6-19)29-17-22(16-24(29)30)27-11-13-28(14-12-27)25(31)23-2-1-15-32-23/h1-10,15,22H,11-14,16-17H2/t22-/m1/s1
InChIKeyHVVLTSHAUJYILM-JOCHJYFZSA-N
XLogP3.65
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 162624754) is (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1.
What is the InChIKey of (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is HVVLTSHAUJYILM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24FN3O3/c26-20-7-3-18(4-8-20)19-5-9-21(10-6-19)29-17-22(16-24(29)30)27-11-13-28(14-12-27)25(31)23-2-1-15-32-23/h1-10,15,22H,11-14,16-17H2/t22-/m1/s1.
What are the key properties of (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
(4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 433.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 162624754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).