3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

C14H24N4O — CID 55156990

IUPAC3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCN(C)CC2)c1=O
InChIInChI=1S/C14H24N4O/c1-11(2)10-18-9-6-15-13(14(18)19)16-12-4-7-17(3)8-5-12/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,15,16)
InChIKeyCLKMJFQYOCUDIG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds4

About 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55156990) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55156990
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCN(C)CC2)c1=O
InChIInChI=1S/C14H24N4O/c1-11(2)10-18-9-6-15-13(14(18)19)16-12-4-7-17(3)8-5-12/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,15,16)
InChIKeyCLKMJFQYOCUDIG-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 55156990) is 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC2CCN(C)CC2)c1=O.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is CLKMJFQYOCUDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)10-18-9-6-15-13(14(18)19)16-12-4-7-17(3)8-5-12/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55156990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).