3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride

C10H18Cl2N4O — CID 86811808

IUPAC3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride
SMILESCl.Cl.Cn1ccnc(N2CCC(N)CC2)c1=O
InChIInChI=1S/C10H16N4O.2ClH/c1-13-7-4-12-9(10(13)15)14-5-2-8(11)3-6-14;;/h4,7-8H,2-3,5-6,11H2,1H3;2*1H
InChIKeyOJZFKXBPEUTVBS-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.55
Rot. Bonds1

About 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride

3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride (PubChem CID 86811808) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride
PubChem CID86811808
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride
SMILESCl.Cl.Cn1ccnc(N2CCC(N)CC2)c1=O
InChIInChI=1S/C10H16N4O.2ClH/c1-13-7-4-12-9(10(13)15)14-5-2-8(11)3-6-14;;/h4,7-8H,2-3,5-6,11H2,1H3;2*1H
InChIKeyOJZFKXBPEUTVBS-UHFFFAOYSA-N
XLogP0.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride (CID 86811808) is 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride is Cl.Cl.Cn1ccnc(N2CCC(N)CC2)c1=O.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride?
The InChIKey is OJZFKXBPEUTVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c1-13-7-4-12-9(10(13)15)14-5-2-8(11)3-6-14;;/h4,7-8H,2-3,5-6,11H2,1H3;2*1H.
What are the key properties of 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride?
3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-1-methylpyrazin-2-one;dihydrochloride is sourced from PubChem (CID 86811808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).