3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one

C13H22N4O — CID 115313461

IUPAC3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC(N)CC2C)c1=O
InChIInChI=1S/C13H22N4O/c1-3-6-16-8-5-15-12(13(16)18)17-7-4-11(14)9-10(17)2/h5,8,10-11H,3-4,6-7,9,14H2,1-2H3
InChIKeyRIWIKEJKJCUBFD-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.97
Rot. Bonds3

About 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one

3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one (PubChem CID 115313461) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one
PubChem CID115313461
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC(N)CC2C)c1=O
InChIInChI=1S/C13H22N4O/c1-3-6-16-8-5-15-12(13(16)18)17-7-4-11(14)9-10(17)2/h5,8,10-11H,3-4,6-7,9,14H2,1-2H3
InChIKeyRIWIKEJKJCUBFD-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
The IUPAC name of 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one (CID 115313461) is 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one is CCCn1ccnc(N2CCC(N)CC2C)c1=O.
What is the InChIKey of 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
The InChIKey is RIWIKEJKJCUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-16-8-5-15-12(13(16)18)17-7-4-11(14)9-10(17)2/h5,8,10-11H,3-4,6-7,9,14H2,1-2H3.
What are the key properties of 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one?
3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one is sourced from PubChem (CID 115313461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).