1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol

C20H24ClFN4O2 — CID 145296531

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol
SMILESO=C1CCCN1Cc1ccc(Cl)c(F)c1.Oc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C11H11ClFNO.C9H13N3O/c12-9-4-3-8(6-10(9)13)7-14-5-1-2-11(14)15;13-8-1-2-9(11-7-8)12-5-3-10-4-6-12/h3-4,6H,1-2,5,7H2;1-2,7,10,13H,3-6H2
InChIKeyDGURRBTZASFROW-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.80
Rot. Bonds3

About 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol

1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol (PubChem CID 145296531) has the molecular formula C20H24ClFN4O2 and a molecular weight of 406.89 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol
PubChem CID145296531
Molecular FormulaC20H24ClFN4O2
Molecular Weight406.89 g/mol
Exact Mass406.16
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol
SMILESO=C1CCCN1Cc1ccc(Cl)c(F)c1.Oc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C11H11ClFNO.C9H13N3O/c12-9-4-3-8(6-10(9)13)7-14-5-1-2-11(14)15;13-8-1-2-9(11-7-8)12-5-3-10-4-6-12/h3-4,6H,1-2,5,7H2;1-2,7,10,13H,3-6H2
InChIKeyDGURRBTZASFROW-UHFFFAOYSA-N
XLogP2.80
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol (CID 145296531) is 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol is O=C1CCCN1Cc1ccc(Cl)c(F)c1.Oc1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol?
The InChIKey is DGURRBTZASFROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO.C9H13N3O/c12-9-4-3-8(6-10(9)13)7-14-5-1-2-11(14)15;13-8-1-2-9(11-7-8)12-5-3-10-4-6-12/h3-4,6H,1-2,5,7H2;1-2,7,10,13H,3-6H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol?
1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol has a molecular weight of 406.89 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol is sourced from PubChem (CID 145296531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).