3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one

C13H22N4O — CID 62927501

IUPAC3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CC(CN)CCC2C)c1=O
InChIInChI=1S/C13H22N4O/c1-3-16-7-6-15-12(13(16)18)17-9-11(8-14)5-4-10(17)2/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyCDSQHGICHUAGCC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.83
Rot. Bonds3

About 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one

3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one (PubChem CID 62927501) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one
PubChem CID62927501
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CC(CN)CCC2C)c1=O
InChIInChI=1S/C13H22N4O/c1-3-16-7-6-15-12(13(16)18)17-9-11(8-14)5-4-10(17)2/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyCDSQHGICHUAGCC-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one (CID 62927501) is 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one is CCn1ccnc(N2CC(CN)CCC2C)c1=O.
What is the InChIKey of 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one?
The InChIKey is CDSQHGICHUAGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16-7-6-15-12(13(16)18)17-9-11(8-14)5-4-10(17)2/h6-7,10-11H,3-5,8-9,14H2,1-2H3.
What are the key properties of 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one?
3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62927501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).