5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one

C14H17ClN4O3 — CID 122259236

IUPAC5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)N1
InChIInChI=1S/C14H17ClN4O3/c15-9-6-16-14(17-7-9)22-10-2-1-5-19(8-10)13(21)11-3-4-12(20)18-11/h6-7,10-11H,1-5,8H2,(H,18,20)
InChIKeyQXXFTJOWSRZWSC-UHFFFAOYSA-N
MW324.77 g/mol
LogP0.78
Rot. Bonds3

About 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one

5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122259236) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID122259236
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)N1
InChIInChI=1S/C14H17ClN4O3/c15-9-6-16-14(17-7-9)22-10-2-1-5-19(8-10)13(21)11-3-4-12(20)18-11/h6-7,10-11H,1-5,8H2,(H,18,20)
InChIKeyQXXFTJOWSRZWSC-UHFFFAOYSA-N
XLogP0.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one (CID 122259236) is 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)N1.
What is the InChIKey of 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QXXFTJOWSRZWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c15-9-6-16-14(17-7-9)22-10-2-1-5-19(8-10)13(21)11-3-4-12(20)18-11/h6-7,10-11H,1-5,8H2,(H,18,20).
What are the key properties of 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one?
5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 324.77 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122259236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).