3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one

C13H20N4O — CID 113367834

IUPAC3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
SMILESCCCNc1cc(N2CCNC(=O)C2C)ccn1
InChIInChI=1S/C13H20N4O/c1-3-5-14-12-9-11(4-6-15-12)17-8-7-16-13(18)10(17)2/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyJRUQFDLGXFWAHB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds4

About 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one

3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one (PubChem CID 113367834) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
PubChem CID113367834
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
SMILESCCCNc1cc(N2CCNC(=O)C2C)ccn1
InChIInChI=1S/C13H20N4O/c1-3-5-14-12-9-11(4-6-15-12)17-8-7-16-13(18)10(17)2/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyJRUQFDLGXFWAHB-UHFFFAOYSA-N
XLogP1.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one (CID 113367834) is 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one is CCCNc1cc(N2CCNC(=O)C2C)ccn1.
What is the InChIKey of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
The InChIKey is JRUQFDLGXFWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-5-14-12-9-11(4-6-15-12)17-8-7-16-13(18)10(17)2/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 113367834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).