3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one

C24H29FN2O3 — CID 24888182

IUPAC3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCC(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H29FN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-10,17,21H,2-4,11-16H2,1H3
InChIKeyBOZMBSXPGWBGBZ-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.22
Rot. Bonds7

About 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one

3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 24888182) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID24888182
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCC(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H29FN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-10,17,21H,2-4,11-16H2,1H3
InChIKeyBOZMBSXPGWBGBZ-UHFFFAOYSA-N
XLogP4.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (CID 24888182) is 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one is COc1ccc(N2CCC(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is BOZMBSXPGWBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-10,17,21H,2-4,11-16H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 412.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 24888182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).