3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one

C10H16N4O — CID 94896992

IUPAC3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@@H](N)C2)c1=O
InChIInChI=1S/C10H16N4O/c1-13-6-4-12-9(10(13)15)14-5-2-3-8(11)7-14/h4,6,8H,2-3,5,7,11H2,1H3/t8-/m1/s1
InChIKeyNDSZCILCRDHABL-MRVPVSSYSA-N
MW208.26 g/mol
LogP-0.29
Rot. Bonds1

About 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one

3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 94896992) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID94896992
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@@H](N)C2)c1=O
InChIInChI=1S/C10H16N4O/c1-13-6-4-12-9(10(13)15)14-5-2-3-8(11)7-14/h4,6,8H,2-3,5,7,11H2,1H3/t8-/m1/s1
InChIKeyNDSZCILCRDHABL-MRVPVSSYSA-N
XLogP-0.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one (CID 94896992) is 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC[C@@H](N)C2)c1=O.
What is the InChIKey of 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is NDSZCILCRDHABL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-6-4-12-9(10(13)15)14-5-2-3-8(11)7-14/h4,6,8H,2-3,5,7,11H2,1H3/t8-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one?
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 94896992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).