1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one

C12H20N4O — CID 62939421

IUPAC1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(NC)CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-3-15-9-6-14-11(12(15)17)16-7-4-10(13-2)5-8-16/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyUXZICVVOWBFRPT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.45
Rot. Bonds3

About 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one

1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one (PubChem CID 62939421) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
PubChem CID62939421
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(NC)CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-3-15-9-6-14-11(12(15)17)16-7-4-10(13-2)5-8-16/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyUXZICVVOWBFRPT-UHFFFAOYSA-N
XLogP0.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
CID 129007467
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976255
4-ethyl-N-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]benzamide
CID 129000920
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 75509073
1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976284
4-(4-ethyl-3-oxopyrazin-2-yl)-N-methylpiperazine-1-sulfonamide
CID 154736074
1-ethyl-3-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)piperidin-1-yl]pyrazin-2-one
CID 127974322
3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 128976328
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
1-(1-ethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 115300867
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one (CID 62939421) is 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCC(NC)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one?
The InChIKey is UXZICVVOWBFRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-15-9-6-14-11(12(15)17)16-7-4-10(13-2)5-8-16/h6,9-10,13H,3-5,7-8H2,1-2H3.
What are the key properties of 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62939421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).