5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one

C14H17Cl2N3O — CID 3021870

IUPAC5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C14H17Cl2N3O/c15-11-2-1-10(9-12(11)16)18-5-7-19(8-6-18)13-3-4-14(20)17-13/h1-2,9,13H,3-8H2,(H,17,20)
InChIKeyDAWUPZVTSYCEQK-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.35
Rot. Bonds2

About 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one

5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 3021870) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID3021870
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C14H17Cl2N3O/c15-11-2-1-10(9-12(11)16)18-5-7-19(8-6-18)13-3-4-14(20)17-13/h1-2,9,13H,3-8H2,(H,17,20)
InChIKeyDAWUPZVTSYCEQK-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one (CID 3021870) is 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one is O=C1CCC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)N1.
What is the InChIKey of 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is DAWUPZVTSYCEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c15-11-2-1-10(9-12(11)16)18-5-7-19(8-6-18)13-3-4-14(20)17-13/h1-2,9,13H,3-8H2,(H,17,20).
What are the key properties of 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 314.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 3021870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).