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

C17H26N2O3 — CID 47018598

IUPACcyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)C2CC=CCC2)C1)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(14-5-2-1-3-6-14)19-8-4-7-15(13-19)17(21)18-9-11-22-12-10-18/h1-2,14-15H,3-13H2
InChIKeyAUCPFXZVBGMYQX-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.44
Rot. Bonds2

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

cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone (PubChem CID 47018598) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone
PubChem CID47018598
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namecyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)C2CC=CCC2)C1)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(14-5-2-1-3-6-14)19-8-4-7-15(13-19)17(21)18-9-11-22-12-10-18/h1-2,14-15H,3-13H2
InChIKeyAUCPFXZVBGMYQX-UHFFFAOYSA-N
XLogP1.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.44
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-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone (CID 47018598) is cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone is O=C(C1CCCN(C(=O)C2CC=CCC2)C1)N1CCOCC1.
What is the InChIKey of cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
The InChIKey is AUCPFXZVBGMYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-16(14-5-2-1-3-6-14)19-8-4-7-15(13-19)17(21)18-9-11-22-12-10-18/h1-2,14-15H,3-13H2.
What are the key properties of cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.44, 2 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-[3-(morpholine-4-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 47018598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).