cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C18H30N2O2 — CID 90616341

IUPACcyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)C3CC=CCC3)CC2)CC1
InChIInChI=1S/C18H30N2O2/c1-22-17-9-13-19(14-10-17)16-7-11-20(12-8-16)18(21)15-5-3-2-4-6-15/h2-3,15-17H,4-14H2,1H3
InChIKeyJXUCUCMSUGPQNW-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.44
Rot. Bonds3

About cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616341) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616341
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Namecyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)C3CC=CCC3)CC2)CC1
InChIInChI=1S/C18H30N2O2/c1-22-17-9-13-19(14-10-17)16-7-11-20(12-8-16)18(21)15-5-3-2-4-6-15/h2-3,15-17H,4-14H2,1H3
InChIKeyJXUCUCMSUGPQNW-UHFFFAOYSA-N
XLogP2.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616341) is cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)C3CC=CCC3)CC2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is JXUCUCMSUGPQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-22-17-9-13-19(14-10-17)16-7-11-20(12-8-16)18(21)15-5-3-2-4-6-15/h2-3,15-17H,4-14H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 306.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).