(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C25H26N4O4 — CID 92896437

IUPAC(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)CC2=O)cc1
InChIInChI=1S/C25H26N4O4/c1-32-21-9-7-20(8-10-21)29-16-19(15-22(29)30)25(31)28-13-11-17(12-14-28)23-26-24(33-27-23)18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3/t19-/m1/s1
InChIKeyPBJBIHXOSQUYEO-LJQANCHMSA-N
MW446.51 g/mol
LogP3.50
Rot. Bonds5

About (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92896437) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92896437
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)CC2=O)cc1
InChIInChI=1S/C25H26N4O4/c1-32-21-9-7-20(8-10-21)29-16-19(15-22(29)30)25(31)28-13-11-17(12-14-28)23-26-24(33-27-23)18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3/t19-/m1/s1
InChIKeyPBJBIHXOSQUYEO-LJQANCHMSA-N
XLogP3.50
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 92896437) is (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PBJBIHXOSQUYEO-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-21-9-7-20(8-10-21)29-16-19(15-22(29)30)25(31)28-13-11-17(12-14-28)23-26-24(33-27-23)18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 446.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92896437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).