(4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone

C14H24N2O2 — CID 79207685

IUPAC(4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C14H24N2O2/c1-2-8-18-13-4-3-7-16(10-13)14(17)11-5-6-12(15)9-11/h5-6,11-13H,2-4,7-10,15H2,1H3
InChIKeyXWUFIUHKEOOEMC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds4

About (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone

(4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 79207685) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID79207685
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C14H24N2O2/c1-2-8-18-13-4-3-7-16(10-13)14(17)11-5-6-12(15)9-11/h5-6,11-13H,2-4,7-10,15H2,1H3
InChIKeyXWUFIUHKEOOEMC-UHFFFAOYSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone (CID 79207685) is (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)C2C=CC(N)C2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is XWUFIUHKEOOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-8-18-13-4-3-7-16(10-13)14(17)11-5-6-12(15)9-11/h5-6,11-13H,2-4,7-10,15H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone?
(4-aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 1.31, 4 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)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 79207685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).