3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one

C14H25N5O — CID 63339478

IUPAC3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one
SMILESCCCC(CN)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C14H25N5O/c1-3-4-12(11-15)18-7-9-19(10-8-18)13-14(20)17(2)6-5-16-13/h5-6,12H,3-4,7-11,15H2,1-2H3
InChIKeyHETGIABZKBWQAR-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.03
Rot. Bonds5

About 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one

3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one (PubChem CID 63339478) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one
PubChem CID63339478
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one
SMILESCCCC(CN)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C14H25N5O/c1-3-4-12(11-15)18-7-9-19(10-8-18)13-14(20)17(2)6-5-16-13/h5-6,12H,3-4,7-11,15H2,1-2H3
InChIKeyHETGIABZKBWQAR-UHFFFAOYSA-N
XLogP0.03
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(1-aminopentan-2-yl)piperazin-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-(1-aminopropan-2-yl)piperazin-1-yl]-1-propylpyrazin-2-one
CID 63339249
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 62939060
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 63339161
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine
CID 114222622
2-[4-(5,6-dimethylpyrazin-2-yl)piperazin-1-yl]pentan-1-amine
CID 114474787
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one (CID 63339478) is 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one is CCCC(CN)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is HETGIABZKBWQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-4-12(11-15)18-7-9-19(10-8-18)13-14(20)17(2)6-5-16-13/h5-6,12H,3-4,7-11,15H2,1-2H3.
What are the key properties of 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one?
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 279.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 63339478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).