1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one

C13H17ClN4O — CID 88890597

IUPAC1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H17ClN4O/c14-11-8-16-12(9-15-11)17-6-3-10(4-7-17)18-5-1-2-13(18)19/h8-10H,1-7H2
InChIKeyKIRLXULHDJVVRP-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.72
Rot. Bonds2

About 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 88890597) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID88890597
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2cnc(Cl)cn2)CC1
InChIInChI=1S/C13H17ClN4O/c14-11-8-16-12(9-15-11)17-6-3-10(4-7-17)18-5-1-2-13(18)19/h8-10H,1-7H2
InChIKeyKIRLXULHDJVVRP-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one (CID 88890597) is 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(c2cnc(Cl)cn2)CC1.
What is the InChIKey of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is KIRLXULHDJVVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-11-8-16-12(9-15-11)17-6-3-10(4-7-17)18-5-1-2-13(18)19/h8-10H,1-7H2.
What are the key properties of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 280.76 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 88890597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).