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

C25H31FN2O4 — CID 10003477

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1F
InChIInChI=1S/C25H31FN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-9,16-17,20H,3-5,10-15H2,1-2H3
InChIKeyJZLJFPPMJZLDTF-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.23
Rot. Bonds8

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

1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 10003477) has the molecular formula C25H31FN2O4 and a molecular weight of 442.53 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID10003477
Molecular FormulaC25H31FN2O4
Molecular Weight442.53 g/mol
Exact Mass442.23
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1F
InChIInChI=1S/C25H31FN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-9,16-17,20H,3-5,10-15H2,1-2H3
InChIKeyJZLJFPPMJZLDTF-UHFFFAOYSA-N
XLogP4.23
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (CID 10003477) is 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one is COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is JZLJFPPMJZLDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-9,16-17,20H,3-5,10-15H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 442.53 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10003477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).