1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone

C15H22N2O2 — CID 73168789

IUPAC1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C3C=CCC2CC3)CC1
InChIInChI=1S/C15H22N2O2/c1-11(18)16-9-7-12(8-10-16)15(19)17-13-3-2-4-14(17)6-5-13/h2-3,12-14H,4-10H2,1H3
InChIKeyDEAVFCJMQUTEEV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.56
Rot. Bonds1

About 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone

1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone (PubChem CID 73168789) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone
PubChem CID73168789
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C3C=CCC2CC3)CC1
InChIInChI=1S/C15H22N2O2/c1-11(18)16-9-7-12(8-10-16)15(19)17-13-3-2-4-14(17)6-5-13/h2-3,12-14H,4-10H2,1H3
InChIKeyDEAVFCJMQUTEEV-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.56
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 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone (CID 73168789) is 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2C3C=CCC2CC3)CC1.
What is the InChIKey of 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is DEAVFCJMQUTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)16-9-7-12(8-10-16)15(19)17-13-3-2-4-14(17)6-5-13/h2-3,12-14H,4-10H2,1H3.
What are the key properties of 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone?
1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 73168789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).