cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H26N2O — CID 55169525

IUPACcyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H26N2O/c19-16(13-7-2-1-3-8-13)18-12-5-4-10-15(18)14-9-6-11-17-14/h1-2,13-15,17H,3-12H2
InChIKeyATLMFYFYZVIRJB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds2

About cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 55169525) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID55169525
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Namecyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H26N2O/c19-16(13-7-2-1-3-8-13)18-12-5-4-10-15(18)14-9-6-11-17-14/h1-2,13-15,17H,3-12H2
InChIKeyATLMFYFYZVIRJB-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-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 cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 55169525) is cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(C1CC=CCC1)N1CCCCC1C1CCCN1.
What is the InChIKey of cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is ATLMFYFYZVIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(13-7-2-1-3-8-13)18-12-5-4-10-15(18)14-9-6-11-17-14/h1-2,13-15,17H,3-12H2.
What are the key properties of cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 262.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 55169525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).