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

C25H29FN2O3 — CID 45235007

IUPAC5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CC2(CCC(=O)N3CCCC3c3ccc(F)cc3)CCC(=O)N2)cc1
InChIInChI=1S/C25H29FN2O3/c1-31-21-10-4-18(5-11-21)17-25(14-12-23(29)27-25)15-13-24(30)28-16-2-3-22(28)19-6-8-20(26)9-7-19/h4-11,22H,2-3,12-17H2,1H3,(H,27,29)
InChIKeyRQFAPOSFUJNKIG-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.17
Rot. Bonds7

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

5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 45235007) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID45235007
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CC2(CCC(=O)N3CCCC3c3ccc(F)cc3)CCC(=O)N2)cc1
InChIInChI=1S/C25H29FN2O3/c1-31-21-10-4-18(5-11-21)17-25(14-12-23(29)27-25)15-13-24(30)28-16-2-3-22(28)19-6-8-20(26)9-7-19/h4-11,22H,2-3,12-17H2,1H3,(H,27,29)
InChIKeyRQFAPOSFUJNKIG-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 45179155
(5S)-5-[3-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 26354887
(5S)-5-[3-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 26354891
(5S)-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 125176594
5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 126466483
(5R)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42434770
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42449550
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
5-(1,3-benzodioxol-5-ylmethyl)-5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45219121
5-[(4-fluorophenyl)methyl]-5-[3-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45181644
(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 42479662
(5R)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 125155692

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 45235007) is 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CC2(CCC(=O)N3CCCC3c3ccc(F)cc3)CCC(=O)N2)cc1.
What is the InChIKey of 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is RQFAPOSFUJNKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-31-21-10-4-18(5-11-21)17-25(14-12-23(29)27-25)15-13-24(30)28-16-2-3-22(28)19-6-8-20(26)9-7-19/h4-11,22H,2-3,12-17H2,1H3,(H,27,29).
What are the key properties of 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 424.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 45235007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).