2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone

C17H28N2O — CID 110197850

IUPAC2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C17H28N2O/c20-17(12-14-4-2-1-3-5-14)19-10-7-15(8-11-19)16-6-9-18-13-16/h4,15-16,18H,1-3,5-13H2
InChIKeyUEWDGIRLHRAOHP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.72
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone

2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone (PubChem CID 110197850) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
PubChem CID110197850
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C17H28N2O/c20-17(12-14-4-2-1-3-5-14)19-10-7-15(8-11-19)16-6-9-18-13-16/h4,15-16,18H,1-3,5-13H2
InChIKeyUEWDGIRLHRAOHP-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone (CID 110197850) is 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone is O=C(CC1=CCCCC1)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is UEWDGIRLHRAOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-17(12-14-4-2-1-3-5-14)19-10-7-15(8-11-19)16-6-9-18-13-16/h4,15-16,18H,1-3,5-13H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone?
2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110197850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).