1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

C18H26N4O3 — CID 128992413

IUPAC1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCN(C)c1ncccc1OC1CCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C18H26N4O3/c1-20(2)18-15(6-5-9-19-18)25-14-8-11-22(12-14)17(24)13-21-10-4-3-7-16(21)23/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3
InChIKeyHMJLXBIQGXBOOJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.14
Rot. Bonds5

About 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 128992413) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID128992413
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCN(C)c1ncccc1OC1CCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C18H26N4O3/c1-20(2)18-15(6-5-9-19-18)25-14-8-11-22(12-14)17(24)13-21-10-4-3-7-16(21)23/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3
InChIKeyHMJLXBIQGXBOOJ-UHFFFAOYSA-N
XLogP1.14
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 128992413) is 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is CN(C)c1ncccc1OC1CCN(C(=O)CN2CCCCC2=O)C1.
What is the InChIKey of 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is HMJLXBIQGXBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20(2)18-15(6-5-9-19-18)25-14-8-11-22(12-14)17(24)13-21-10-4-3-7-16(21)23/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 128992413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).