2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one

C15H25NO — CID 79545226

IUPAC2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one
SMILESC=CCCCN1CCCCC1C1CCCC1=O
InChIInChI=1S/C15H25NO/c1-2-3-5-11-16-12-6-4-9-14(16)13-8-7-10-15(13)17/h2,13-14H,1,3-12H2
InChIKeyOBMHLZANJLOHSM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds5

About 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one

2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one (PubChem CID 79545226) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one
PubChem CID79545226
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one
SMILESC=CCCCN1CCCCC1C1CCCC1=O
InChIInChI=1S/C15H25NO/c1-2-3-5-11-16-12-6-4-9-14(16)13-8-7-10-15(13)17/h2,13-14H,1,3-12H2
InChIKeyOBMHLZANJLOHSM-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one (CID 79545226) is 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one is C=CCCCN1CCCCC1C1CCCC1=O.
What is the InChIKey of 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one?
The InChIKey is OBMHLZANJLOHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-5-11-16-12-6-4-9-14(16)13-8-7-10-15(13)17/h2,13-14H,1,3-12H2.
What are the key properties of 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one?
2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pent-4-enylpiperidin-2-yl)cyclopentan-1-one is sourced from PubChem (CID 79545226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).