3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one

C12H20N4O — CID 63596080

IUPAC3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCC(N)C1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O/c1-9(13)10-3-6-16(7-4-10)11-12(17)15(2)8-5-14-11/h5,8-10H,3-4,6-7,13H2,1-2H3
InChIKeyCHNDZHUGYGEFID-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.34
Rot. Bonds2

About 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 63596080) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID63596080
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCC(N)C1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O/c1-9(13)10-3-6-16(7-4-10)11-12(17)15(2)8-5-14-11/h5,8-10H,3-4,6-7,13H2,1-2H3
InChIKeyCHNDZHUGYGEFID-UHFFFAOYSA-N
XLogP0.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 113360798
3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 113285121
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one
CID 121020704
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 62939060

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one (CID 63596080) is 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one is CC(N)C1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is CHNDZHUGYGEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13)10-3-6-16(7-4-10)11-12(17)15(2)8-5-14-11/h5,8-10H,3-4,6-7,13H2,1-2H3.
What are the key properties of 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 63596080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).