1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C25H25N3O3S — CID 122654048

IUPAC1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1cccs1)N1CCN(C2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C25H25N3O3S/c29-24-17-20(26-12-14-27(15-13-26)25(30)23-7-4-16-32-23)18-28(24)19-8-10-22(11-9-19)31-21-5-2-1-3-6-21/h1-11,16,20H,12-15,17-18H2
InChIKeyGGKBQPUVIKJBJH-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.10
Rot. Bonds5

About 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654048) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122654048
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1cccs1)N1CCN(C2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C25H25N3O3S/c29-24-17-20(26-12-14-27(15-13-26)25(30)23-7-4-16-32-23)18-28(24)19-8-10-22(11-9-19)31-21-5-2-1-3-6-21/h1-11,16,20H,12-15,17-18H2
InChIKeyGGKBQPUVIKJBJH-UHFFFAOYSA-N
XLogP4.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654048) is 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1cccs1)N1CCN(C2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC1.
What is the InChIKey of 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is GGKBQPUVIKJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c29-24-17-20(26-12-14-27(15-13-26)25(30)23-7-4-16-32-23)18-28(24)19-8-10-22(11-9-19)31-21-5-2-1-3-6-21/h1-11,16,20H,12-15,17-18H2.
What are the key properties of 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 447.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).