5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one

C17H25N3O3 — CID 86283084

IUPAC5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
SMILESO=C(CCN1CCOCC1)N1CCC(Cc2ccc(=O)[nH]c2)C1
InChIInChI=1S/C17H25N3O3/c21-16-2-1-14(12-18-16)11-15-3-6-20(13-15)17(22)4-5-19-7-9-23-10-8-19/h1-2,12,15H,3-11,13H2,(H,18,21)
InChIKeyLOJVRHBEAFYHJG-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.49
Rot. Bonds5

About 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one

5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one (PubChem CID 86283084) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
PubChem CID86283084
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
SMILESO=C(CCN1CCOCC1)N1CCC(Cc2ccc(=O)[nH]c2)C1
InChIInChI=1S/C17H25N3O3/c21-16-2-1-14(12-18-16)11-15-3-6-20(13-15)17(22)4-5-19-7-9-23-10-8-19/h1-2,12,15H,3-11,13H2,(H,18,21)
InChIKeyLOJVRHBEAFYHJG-UHFFFAOYSA-N
XLogP0.49
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one (CID 86283084) is 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one is O=C(CCN1CCOCC1)N1CCC(Cc2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The InChIKey is LOJVRHBEAFYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16-2-1-14(12-18-16)11-15-3-6-20(13-15)17(22)4-5-19-7-9-23-10-8-19/h1-2,12,15H,3-11,13H2,(H,18,21).
What are the key properties of 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one has a molecular weight of 319.40 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-morpholin-4-ylpropanoyl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 86283084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).