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

C15H26N4O — CID 62927503

IUPAC3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CC(CN)CCC2C)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)9-18-7-6-17-14(15(18)20)19-10-13(8-16)5-4-12(19)3/h6-7,11-13H,4-5,8-10,16H2,1-3H3
InChIKeyNMRJLDYGOXKKBZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds4

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

3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62927503) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62927503
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CC(CN)CCC2C)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)9-18-7-6-17-14(15(18)20)19-10-13(8-16)5-4-12(19)3/h6-7,11-13H,4-5,8-10,16H2,1-3H3
InChIKeyNMRJLDYGOXKKBZ-UHFFFAOYSA-N
XLogP1.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.46
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-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 62927503) is 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CC(CN)CCC2C)c1=O.
What is the InChIKey of 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is NMRJLDYGOXKKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)9-18-7-6-17-14(15(18)20)19-10-13(8-16)5-4-12(19)3/h6-7,11-13H,4-5,8-10,16H2,1-3H3.
What are the key properties of 3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.46, 4 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-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62927503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).