1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one

C25H30N2O4 — CID 10477339

IUPAC1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC=C(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1
InChIInChI=1S/C25H30N2O4/c1-29-21-9-7-20(8-10-21)27-15-12-22(25(27)28)19-6-11-23(30-2)24(18-19)31-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
InChIKeyQXOYAOAGWAQJLS-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.00
Rot. Bonds8

About 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one

1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 10477339) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID10477339
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC=C(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1
InChIInChI=1S/C25H30N2O4/c1-29-21-9-7-20(8-10-21)27-15-12-22(25(27)28)19-6-11-23(30-2)24(18-19)31-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
InChIKeyQXOYAOAGWAQJLS-UHFFFAOYSA-N
XLogP4.00
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one (CID 10477339) is 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one is COc1ccc(N2CC=C(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is QXOYAOAGWAQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-29-21-9-7-20(8-10-21)27-15-12-22(25(27)28)19-6-11-23(30-2)24(18-19)31-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one?
1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 422.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 10477339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).