4-(2-amino-3-pyridinyl)piperazin-2-one

C9H12N4O — CID 104539681

IUPAC4-(2-amino-3-pyridinyl)piperazin-2-one
SMILESNc1ncccc1N1CCNC(=O)C1
InChIInChI=1S/C9H12N4O/c10-9-7(2-1-3-12-9)13-5-4-11-8(14)6-13/h1-3H,4-6H2,(H2,10,12)(H,11,14)
InChIKeyXFKSDXJTNTUBGA-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.40
Rot. Bonds1

About 4-(2-amino-3-pyridinyl)piperazin-2-one

4-(2-amino-3-pyridinyl)piperazin-2-one (PubChem CID 104539681) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(2-amino-3-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-3-pyridinyl)piperazin-2-one
PubChem CID104539681
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-(2-amino-3-pyridinyl)piperazin-2-one
SMILESNc1ncccc1N1CCNC(=O)C1
InChIInChI=1S/C9H12N4O/c10-9-7(2-1-3-12-9)13-5-4-11-8(14)6-13/h1-3H,4-6H2,(H2,10,12)(H,11,14)
InChIKeyXFKSDXJTNTUBGA-UHFFFAOYSA-N
XLogP-0.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
CID 168513641
4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
CID 62472006
3-(azocan-1-yl)pyridin-2-amine
CID 104539725
4-(5-aminoquinolin-8-yl)-1,4-diazepan-2-one
CID 65361499
4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one
CID 65361303
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
4-(4-amino-2-fluorophenyl)piperazin-2-one
CID 28972585
3-(4-fluoropiperidin-1-yl)pyridin-2-amine
CID 67335941
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 99989750
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
4-(2-propanoylphenyl)piperazin-2-one
CID 112677272

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-3-pyridinyl)piperazin-2-one (CID 104539681) is 4-(2-amino-3-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-3-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-3-pyridinyl)piperazin-2-one is Nc1ncccc1N1CCNC(=O)C1.
What is the InChIKey of 4-(2-amino-3-pyridinyl)piperazin-2-one?
The InChIKey is XFKSDXJTNTUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-9-7(2-1-3-12-9)13-5-4-11-8(14)6-13/h1-3H,4-6H2,(H2,10,12)(H,11,14).
What are the key properties of 4-(2-amino-3-pyridinyl)piperazin-2-one?
4-(2-amino-3-pyridinyl)piperazin-2-one has a molecular weight of 192.22 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-pyridinyl)piperazin-2-one is sourced from PubChem (CID 104539681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).