3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one

C12H20N4O — CID 139525821

IUPAC3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(NC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)10-7-14-11(12(17)16-10)15-9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJYMPOSDJULILEI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds3

About 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one

3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 139525821) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID139525821
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(NC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)10-7-14-11(12(17)16-10)15-9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJYMPOSDJULILEI-UHFFFAOYSA-N
XLogP1.06
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one (CID 139525821) is 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one is CC(C)c1cnc(NC2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is JYMPOSDJULILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)10-7-14-11(12(17)16-10)15-9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one?
3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylamino)-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 139525821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).