(3-ethoxypiperidin-2-ylidene)methanone

C8H13NO2 — CID 87544995

IUPAC(3-ethoxypiperidin-2-ylidene)methanone
SMILESCCOC1CCCNC1=C=O
InChIInChI=1S/C8H13NO2/c1-2-11-8-4-3-5-9-7(8)6-10/h8-9H,2-5H2,1H3
InChIKeyPGLXXJRVIAKMJY-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds2

About (3-ethoxypiperidin-2-ylidene)methanone

(3-ethoxypiperidin-2-ylidene)methanone (PubChem CID 87544995) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3-ethoxypiperidin-2-ylidene)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-2-ylidene)methanone
PubChem CID87544995
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3-ethoxypiperidin-2-ylidene)methanone
SMILESCCOC1CCCNC1=C=O
InChIInChI=1S/C8H13NO2/c1-2-11-8-4-3-5-9-7(8)6-10/h8-9H,2-5H2,1H3
InChIKeyPGLXXJRVIAKMJY-UHFFFAOYSA-N
XLogP0.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-ethoxypiperidin-2-ylidene)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 (3-ethoxypiperidin-2-ylidene)methanone?
The IUPAC name of (3-ethoxypiperidin-2-ylidene)methanone (CID 87544995) is (3-ethoxypiperidin-2-ylidene)methanone.
What is the SMILES notation for (3-ethoxypiperidin-2-ylidene)methanone?
The canonical SMILES for (3-ethoxypiperidin-2-ylidene)methanone is CCOC1CCCNC1=C=O.
What is the InChIKey of (3-ethoxypiperidin-2-ylidene)methanone?
The InChIKey is PGLXXJRVIAKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8-4-3-5-9-7(8)6-10/h8-9H,2-5H2,1H3.
What are the key properties of (3-ethoxypiperidin-2-ylidene)methanone?
(3-ethoxypiperidin-2-ylidene)methanone has a molecular weight of 155.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-2-ylidene)methanone is sourced from PubChem (CID 87544995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).