3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one

C14H25N5O — CID 63339161

IUPAC3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(CN)N1CCN(c2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C14H25N5O/c1-11(2)19-5-4-16-13(14(19)20)18-8-6-17(7-9-18)12(3)10-15/h4-5,11-12H,6-10,15H2,1-3H3
InChIKeyJRQBHGJFVNTJSW-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.29
Rot. Bonds4

About 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one

3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one (PubChem CID 63339161) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
PubChem CID63339161
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(CN)N1CCN(c2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C14H25N5O/c1-11(2)19-5-4-16-13(14(19)20)18-8-6-17(7-9-18)12(3)10-15/h4-5,11-12H,6-10,15H2,1-3H3
InChIKeyJRQBHGJFVNTJSW-UHFFFAOYSA-N
XLogP0.29
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propylpyrazin-2-one
CID 63339249
3-[4-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 62939431
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 106837230
2-[4-(3-oxo-4-propan-2-ylpyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62938921
3-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 63854063
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 80679392
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 63339478
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-amine
CID 63015141
4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136972830
1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 62927336
2-[4-(5-bromoisoquinolin-1-yl)piperazin-1-yl]propan-1-amine
CID 106536597
3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63136577

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one (CID 63339161) is 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one is CC(CN)N1CCN(c2nccn(C(C)C)c2=O)CC1.
What is the InChIKey of 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is JRQBHGJFVNTJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)19-5-4-16-13(14(19)20)18-8-6-17(7-9-18)12(3)10-15/h4-5,11-12H,6-10,15H2,1-3H3.
What are the key properties of 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one?
3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 279.39 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 63339161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).