5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

C12H18N4O2 — CID 61204137

IUPAC5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCNCC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H18N4O2/c1-13-5-9-3-2-4-16(8-9)12(18)10-6-15-11(17)7-14-10/h6-7,9,13H,2-5,8H2,1H3,(H,15,17)
InChIKeyKMAASDFSDHATKY-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.16
Rot. Bonds3

About 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 61204137) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID61204137
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCNCC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H18N4O2/c1-13-5-9-3-2-4-16(8-9)12(18)10-6-15-11(17)7-14-10/h6-7,9,13H,2-5,8H2,1H3,(H,15,17)
InChIKeyKMAASDFSDHATKY-UHFFFAOYSA-N
XLogP-0.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 61204137) is 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is CNCC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is KMAASDFSDHATKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-5-9-3-2-4-16(8-9)12(18)10-6-15-11(17)7-14-10/h6-7,9,13H,2-5,8H2,1H3,(H,15,17).
What are the key properties of 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 61204137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).