5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one

C12H18N4O2 — CID 114960606

IUPAC5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1CN
InChIInChI=1S/C12H18N4O2/c1-8-2-3-16(7-9(8)4-13)12(18)10-5-15-11(17)6-14-10/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,17)
InChIKeyLUMKNAYAWUHYAF-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.17
Rot. Bonds2

About 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one

5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 114960606) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID114960606
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1CN
InChIInChI=1S/C12H18N4O2/c1-8-2-3-16(7-9(8)4-13)12(18)10-5-15-11(17)6-14-10/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,17)
InChIKeyLUMKNAYAWUHYAF-UHFFFAOYSA-N
XLogP-0.17
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-amino-3-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 79880596
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 114960513
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114960250
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-sulfonamide
CID 61128657

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one (CID 114960606) is 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one is CC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1CN.
What is the InChIKey of 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is LUMKNAYAWUHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-2-3-16(7-9(8)4-13)12(18)10-5-15-11(17)6-14-10/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,17).
What are the key properties of 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 114960606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).