5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

C14H18N4O3 — CID 121161754

IUPAC5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(Oc3ccncn3)CC2)N1
InChIInChI=1S/C14H18N4O3/c19-12-2-1-11(17-12)14(20)18-7-4-10(5-8-18)21-13-3-6-15-9-16-13/h3,6,9-11H,1-2,4-5,7-8H2,(H,17,19)
InChIKeyRAVMLBWXGYVRJJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.12
Rot. Bonds3

About 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 121161754) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID121161754
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(Oc3ccncn3)CC2)N1
InChIInChI=1S/C14H18N4O3/c19-12-2-1-11(17-12)14(20)18-7-4-10(5-8-18)21-13-3-6-15-9-16-13/h3,6,9-11H,1-2,4-5,7-8H2,(H,17,19)
InChIKeyRAVMLBWXGYVRJJ-UHFFFAOYSA-N
XLogP0.12
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 100644338
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
5-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122255655
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (CID 121161754) is 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is O=C1CCC(C(=O)N2CCC(Oc3ccncn3)CC2)N1.
What is the InChIKey of 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is RAVMLBWXGYVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-12-2-1-11(17-12)14(20)18-7-4-10(5-8-18)21-13-3-6-15-9-16-13/h3,6,9-11H,1-2,4-5,7-8H2,(H,17,19).
What are the key properties of 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 290.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 121161754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).