3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

C14H24N4O — CID 55139442

IUPAC3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCNCC1CCCCN1c1nccn(C(C)C)c1=O
InChIInChI=1S/C14H24N4O/c1-11(2)17-9-7-16-13(14(17)19)18-8-5-4-6-12(18)10-15-3/h7,9,11-12,15H,4-6,8,10H2,1-3H3
InChIKeyKQQPVOBWKCLAHL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.40
Rot. Bonds4

About 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (PubChem CID 55139442) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
PubChem CID55139442
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCNCC1CCCCN1c1nccn(C(C)C)c1=O
InChIInChI=1S/C14H24N4O/c1-11(2)17-9-7-16-13(14(17)19)18-8-5-4-6-12(18)10-15-3/h7,9,11-12,15H,4-6,8,10H2,1-3H3
InChIKeyKQQPVOBWKCLAHL-UHFFFAOYSA-N
XLogP1.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (CID 55139442) is 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is CNCC1CCCCN1c1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is KQQPVOBWKCLAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)17-9-7-16-13(14(17)19)18-8-5-4-6-12(18)10-15-3/h7,9,11-12,15H,4-6,8,10H2,1-3H3.
What are the key properties of 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55139442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).