(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

C14H25N3O — CID 79207806

IUPAC(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C14H25N3O/c1-3-11(2)16-6-8-17(9-7-16)14(18)12-4-5-13(15)10-12/h4-5,11-13H,3,6-10,15H2,1-2H3
InChIKeyGSTOLJXGIFQJAY-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.83
Rot. Bonds3

About (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone

(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (PubChem CID 79207806) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
PubChem CID79207806
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C14H25N3O/c1-3-11(2)16-6-8-17(9-7-16)14(18)12-4-5-13(15)10-12/h4-5,11-13H,3,6-10,15H2,1-2H3
InChIKeyGSTOLJXGIFQJAY-UHFFFAOYSA-N
XLogP0.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone (CID 79207806) is (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is CCC(C)N1CCN(C(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
The InChIKey is GSTOLJXGIFQJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-11(2)16-6-8-17(9-7-16)14(18)12-4-5-13(15)10-12/h4-5,11-13H,3,6-10,15H2,1-2H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone?
(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone has a molecular weight of 251.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 79207806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).