ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate

C24H33FN2O5 — CID 45233964

IUPACethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)CCC1(Cc2cc(OC)ccc2F)CCC(=O)N1
InChIInChI=1S/C24H33FN2O5/c1-3-32-23(30)15-18-6-4-5-13-27(18)22(29)10-12-24(11-9-21(28)26-24)16-17-14-19(31-2)7-8-20(17)25/h7-8,14,18H,3-6,9-13,15-16H2,1-2H3,(H,26,28)
InChIKeyFJCIJUZLNXIIBC-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.14
Rot. Bonds9

About ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate

ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate (PubChem CID 45233964) has the molecular formula C24H33FN2O5 and a molecular weight of 448.54 g/mol. Its IUPAC name is ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate
PubChem CID45233964
Molecular FormulaC24H33FN2O5
Molecular Weight448.54 g/mol
Exact Mass448.24
IUPAC Nameethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)CCC1(Cc2cc(OC)ccc2F)CCC(=O)N1
InChIInChI=1S/C24H33FN2O5/c1-3-32-23(30)15-18-6-4-5-13-27(18)22(29)10-12-24(11-9-21(28)26-24)16-17-14-19(31-2)7-8-20(17)25/h7-8,14,18H,3-6,9-13,15-16H2,1-2H3,(H,26,28)
InChIKeyFJCIJUZLNXIIBC-UHFFFAOYSA-N
XLogP3.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2S)-1-[3-[(2R)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]-3-oxopiperazin-2-yl]acetate
CID 26321367
methyl 2-[(2S)-1-[3-[(2S)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]-3-oxopiperazin-2-yl]acetate
CID 26321371
(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 28809376
5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 126462141
(5S)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propyl]pyrrolidin-2-one
CID 42501088
(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
(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 42438377
(5S)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42372932
3-[(2S)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3R)-oxolan-3-yl]propanamide
CID 42451130
(5S)-5-[3-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-oxopropyl]-5-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 42210699
5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45168482
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 ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate (CID 45233964) is ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)CCC1(Cc2cc(OC)ccc2F)CCC(=O)N1.
What is the InChIKey of ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate?
The InChIKey is FJCIJUZLNXIIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O5/c1-3-32-23(30)15-18-6-4-5-13-27(18)22(29)10-12-24(11-9-21(28)26-24)16-17-14-19(31-2)7-8-20(17)25/h7-8,14,18H,3-6,9-13,15-16H2,1-2H3,(H,26,28).
What are the key properties of ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate?
ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate has a molecular weight of 448.54 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 45233964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).