(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

C15H19BrN4O — CID 79209504

IUPAC(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1
InChIInChI=1S/C15H19BrN4O/c16-12-2-4-14(18-10-12)19-5-7-20(8-6-19)15(21)11-1-3-13(17)9-11/h1-4,10-11,13H,5-9,17H2
InChIKeyZDTWBHHTOXNYEL-UHFFFAOYSA-N
MW351.25 g/mol
LogP1.40
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 79209504) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID79209504
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1
InChIInChI=1S/C15H19BrN4O/c16-12-2-4-14(18-10-12)19-5-7-20(8-6-19)15(21)11-1-3-13(17)9-11/h1-4,10-11,13H,5-9,17H2
InChIKeyZDTWBHHTOXNYEL-UHFFFAOYSA-N
XLogP1.40
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 66009179
[(1R,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510949
[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510950
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
CID 79211513
(2-aminophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119946518
(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 103929235
3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62668903
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone
CID 82897958
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
(5-amino-2-methylphenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641996
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-(1-prop-2-ynylpiperidin-2-yl)methanone
CID 55930430

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (CID 79209504) is (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is NC1C=CC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is ZDTWBHHTOXNYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c16-12-2-4-14(18-10-12)19-5-7-20(8-6-19)15(21)11-1-3-13(17)9-11/h1-4,10-11,13H,5-9,17H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 351.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 79209504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).