3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one

C13H22N4O2 — CID 114571263

IUPAC3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCOCCNCC1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C13H22N4O2/c1-19-9-6-14-10-11-2-7-17(8-3-11)12-13(18)16-5-4-15-12/h4-5,11,14H,2-3,6-10H2,1H3,(H,16,18)
InChIKeyXBMRPJGXJUBEJN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.22
Rot. Bonds6

About 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one

3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 114571263) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID114571263
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCOCCNCC1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C13H22N4O2/c1-19-9-6-14-10-11-2-7-17(8-3-11)12-13(18)16-5-4-15-12/h4-5,11,14H,2-3,6-10H2,1H3,(H,16,18)
InChIKeyXBMRPJGXJUBEJN-UHFFFAOYSA-N
XLogP0.22
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650144
2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
CID 114570494
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
CID 114571125
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129342939

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one (CID 114571263) is 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one is COCCNCC1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is XBMRPJGXJUBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-19-9-6-14-10-11-2-7-17(8-3-11)12-13(18)16-5-4-15-12/h4-5,11,14H,2-3,6-10H2,1H3,(H,16,18).
What are the key properties of 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one?
3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 114571263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).