(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C19H24N2O5 — CID 55426814

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O5/c1-14(18(23)20-8-10-25-11-9-20)26-19(24)16-5-2-4-15(12-16)13-21-7-3-6-17(21)22/h2,4-5,12,14H,3,6-11,13H2,1H3
InChIKeyJLLXRSPTAIWIHN-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.21
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 55426814) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID55426814
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O5/c1-14(18(23)20-8-10-25-11-9-20)26-19(24)16-5-2-4-15(12-16)13-21-7-3-6-17(21)22/h2,4-5,12,14H,3,6-11,13H2,1H3
InChIKeyJLLXRSPTAIWIHN-UHFFFAOYSA-N
XLogP1.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(methylsulfinylmethyl)benzoate
CID 55456096
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426862
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 46819386
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426786
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-hydroxybenzoate
CID 7790061
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 55525194
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 7981246
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9258728
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 7981244
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24501974

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 55426814) is (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is CC(OC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is JLLXRSPTAIWIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-14(18(23)20-8-10-25-11-9-20)26-19(24)16-5-2-4-15(12-16)13-21-7-3-6-17(21)22/h2,4-5,12,14H,3,6-11,13H2,1H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 360.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 55426814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).