3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one

C12H20N4O — CID 114570393

IUPAC3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCNC(C)C1CCCCN1c1ncc[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-9(13-2)10-5-3-4-8-16(10)11-12(17)15-7-6-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyMDMRMOWZLAKOJX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds3

About 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one

3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 114570393) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID114570393
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCNC(C)C1CCCCN1c1ncc[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-9(13-2)10-5-3-4-8-16(10)11-12(17)15-7-6-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyMDMRMOWZLAKOJX-UHFFFAOYSA-N
XLogP0.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one
CID 114571269
N,N-dimethyl-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]pyrimidin-2-amine
CID 64829451
1-ethyl-3-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63854758
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-(7-azabicyclo[2.2.1]heptan-7-yl)-1H-pyrazin-2-one
CID 126856968
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
N-methyl-1-(2-oxo-1H-pyrazin-3-yl)piperazine-2-carboxamide
CID 114570988
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
N-ethyl-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63854741
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one (CID 114570393) is 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one is CNC(C)C1CCCCN1c1ncc[nH]c1=O.
What is the InChIKey of 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is MDMRMOWZLAKOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13-2)10-5-3-4-8-16(10)11-12(17)15-7-6-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one?
3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 114570393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).