5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C27H33FN2O5 — CID 45168482

IUPAC5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCOc1ccc(OC2CCN(C(=O)CCC3(Cc4ccc(OC)cc4F)CCC(=O)N3)CC2)cc1
InChIInChI=1S/C27H33FN2O5/c1-33-20-5-7-21(8-6-20)35-22-11-15-30(16-12-22)26(32)10-14-27(13-9-25(31)29-27)18-19-3-4-23(34-2)17-24(19)28/h3-8,17,22H,9-16,18H2,1-2H3,(H,29,31)
InChIKeyHZWOZUKKEQXPMR-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.88
Rot. Bonds9

About 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 45168482) has the molecular formula C27H33FN2O5 and a molecular weight of 484.57 g/mol. Its IUPAC name is 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID45168482
Molecular FormulaC27H33FN2O5
Molecular Weight484.57 g/mol
Exact Mass484.24
IUPAC Name5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCOc1ccc(OC2CCN(C(=O)CCC3(Cc4ccc(OC)cc4F)CCC(=O)N3)CC2)cc1
InChIInChI=1S/C27H33FN2O5/c1-33-20-5-7-21(8-6-20)35-22-11-15-30(16-12-22)26(32)10-14-27(13-9-25(31)29-27)18-19-3-4-23(34-2)17-24(19)28/h3-8,17,22H,9-16,18H2,1-2H3,(H,29,31)
InChIKeyHZWOZUKKEQXPMR-UHFFFAOYSA-N
XLogP3.88
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 45168482) is 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is COc1ccc(OC2CCN(C(=O)CCC3(Cc4ccc(OC)cc4F)CCC(=O)N3)CC2)cc1.
What is the InChIKey of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is HZWOZUKKEQXPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O5/c1-33-20-5-7-21(8-6-20)35-22-11-15-30(16-12-22)26(32)10-14-27(13-9-25(31)29-27)18-19-3-4-23(34-2)17-24(19)28/h3-8,17,22H,9-16,18H2,1-2H3,(H,29,31).
What are the key properties of 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 484.57 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 45168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).