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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Related Compounds

5-fluoro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-7-(trifluoromethyl)-3H-isoindol-1-one
CID 11305844
4-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 24887290
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-(4-methylphenyl)-2H-pyrrol-5-one
CID 24888184
6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one
CID 4371557
(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 9842857
1-(3-chloro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 9981505
1-(3-fluoro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10003368
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(m-tolyl)pyrrolidin-2-one
CID 10021760
1-(3,4-Dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10050022
1-(3,4-Dichloro-phenyl)-3-[4-methoxy-3-(2-piperidin-1-yl-ethoxy)-phenyl]-3-methyl-pyrrolidin-2-one
CID 10254433
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10409431
1-(4-Methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10410103

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).