3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H23F2N3O3 — CID 91913058

IUPAC3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O
InChIInChI=1S/C18H23F2N3O3/c1-26-11-10-22-5-4-16(18(22)25)21-6-8-23(9-7-21)17(24)14-3-2-13(19)12-15(14)20/h2-3,12,16H,4-11H2,1H3
InChIKeyAMAVVHPEYXPAKM-UHFFFAOYSA-N
MW367.40 g/mol
LogP0.97
Rot. Bonds5

About 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 91913058) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID91913058
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O
InChIInChI=1S/C18H23F2N3O3/c1-26-11-10-22-5-4-16(18(22)25)21-6-8-23(9-7-21)17(24)14-3-2-13(19)12-15(14)20/h2-3,12,16H,4-11H2,1H3
InChIKeyAMAVVHPEYXPAKM-UHFFFAOYSA-N
XLogP0.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 91913058) is 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CCC(N2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O.
What is the InChIKey of 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is AMAVVHPEYXPAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-26-11-10-22-5-4-16(18(22)25)21-6-8-23(9-7-21)17(24)14-3-2-13(19)12-15(14)20/h2-3,12,16H,4-11H2,1H3.
What are the key properties of 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 367.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 91913058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).