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

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Related Compounds

(5R)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42406412
(5S)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42372932
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42449550
(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 42438377
N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42164277
(5R)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 26278109
5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]pyrrolidin-2-one
CID 126463930
(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 28809376
(5R)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 125155692
5-benzyl-5-[3-[4-(2-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45250215
(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 125159587
5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 74588759

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).