(4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone

C13H22N2O2 — CID 79207024

IUPAC(4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-17-12-5-7-15(8-6-12)13(16)10-3-4-11(14)9-10/h3-4,10-12H,2,5-9,14H2,1H3
InChIKeyWEWQHQSOVIANHO-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.92
Rot. Bonds3

About (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone

(4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 79207024) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID79207024
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-17-12-5-7-15(8-6-12)13(16)10-3-4-11(14)9-10/h3-4,10-12H,2,5-9,14H2,1H3
InChIKeyWEWQHQSOVIANHO-UHFFFAOYSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.92
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-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone (CID 79207024) is (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is WEWQHQSOVIANHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-17-12-5-7-15(8-6-12)13(16)10-3-4-11(14)9-10/h3-4,10-12H,2,5-9,14H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone?
(4-aminocyclopent-2-en-1-yl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.92, 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-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 79207024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).