cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C17H28N2O — CID 91921466

IUPACcyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC(C2CCN(C(=O)C3CC=CCC3)C2)CC1
InChIInChI=1S/C17H28N2O/c1-18-10-7-14(8-11-18)16-9-12-19(13-16)17(20)15-5-3-2-4-6-15/h2-3,14-16H,4-13H2,1H3
InChIKeyLIHUIKUIMDUZOV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.53
Rot. Bonds2

About cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91921466) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91921466
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Namecyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC(C2CCN(C(=O)C3CC=CCC3)C2)CC1
InChIInChI=1S/C17H28N2O/c1-18-10-7-14(8-11-18)16-9-12-19(13-16)17(20)15-5-3-2-4-6-15/h2-3,14-16H,4-13H2,1H3
InChIKeyLIHUIKUIMDUZOV-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91921466) is cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CN1CCC(C2CCN(C(=O)C3CC=CCC3)C2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LIHUIKUIMDUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18-10-7-14(8-11-18)16-9-12-19(13-16)17(20)15-5-3-2-4-6-15/h2-3,14-16H,4-13H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 276.42 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91921466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).