ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate

C22H29N3O5 — CID 4903125

IUPACethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(C(=O)NC(C)C(=O)N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C22H29N3O5/c1-3-30-22(29)16-7-9-18(10-8-16)25-14-17(13-19(25)26)20(27)23-15(2)21(28)24-11-5-4-6-12-24/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,23,27)
InChIKeyDONYEKFBTAYVLB-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.73
Rot. Bonds6

About ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate

ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate (PubChem CID 4903125) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate
PubChem CID4903125
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Nameethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(C(=O)NC(C)C(=O)N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C22H29N3O5/c1-3-30-22(29)16-7-9-18(10-8-16)25-14-17(13-19(25)26)20(27)23-15(2)21(28)24-11-5-4-6-12-24/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,23,27)
InChIKeyDONYEKFBTAYVLB-UHFFFAOYSA-N
XLogP1.73
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate with MolForge

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Related Compounds

(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7232453
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
(3R)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94797170
(3S)-1-(4-fluorophenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7621365
ethyl 4-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192053
ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190637
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 108791060
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 11837784
[1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55422444
N-butan-2-yl-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187207

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate (CID 4903125) is ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate is CCOC(=O)c1ccc(N2CC(C(=O)NC(C)C(=O)N3CCCCC3)CC2=O)cc1.
What is the InChIKey of ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate?
The InChIKey is DONYEKFBTAYVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-3-30-22(29)16-7-9-18(10-8-16)25-14-17(13-19(25)26)20(27)23-15(2)21(28)24-11-5-4-6-12-24/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,23,27).
What are the key properties of ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate?
ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate has a molecular weight of 415.49 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate is sourced from PubChem (CID 4903125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).