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

C12H20N4O2 — CID 82692612

IUPAC3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(OCCN)CC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-15-8-5-14-11(12(15)17)16-6-2-10(3-7-16)18-9-4-13/h5,8,10H,2-4,6-7,9,13H2,1H3
InChIKeySDFBEVYFHGEKKD-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.28
Rot. Bonds4

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

3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 82692612) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID82692612
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(OCCN)CC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-15-8-5-14-11(12(15)17)16-6-2-10(3-7-16)18-9-4-13/h5,8,10H,2-4,6-7,9,13H2,1H3
InChIKeySDFBEVYFHGEKKD-UHFFFAOYSA-N
XLogP-0.28
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-aminoethoxy)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-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]oxyethanamine
CID 104734336
3-[4-(2-chloroethoxy)piperidin-1-yl]-1-propylpyrazin-2-one
CID 82701749
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one (CID 82692612) is 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(OCCN)CC2)c1=O.
What is the InChIKey of 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is SDFBEVYFHGEKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-8-5-14-11(12(15)17)16-6-2-10(3-7-16)18-9-4-13/h5,8,10H,2-4,6-7,9,13H2,1H3.
What are the key properties of 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 252.32 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 82692612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).