1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one

C14H23NO — CID 79057467

IUPAC1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
SMILESC=CCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H23NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2H,1,3-12H2
InChIKeyFRDIQKKPSYIJEZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds4

About 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one

1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one (PubChem CID 79057467) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one.

Molecular Properties

Compound Name1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
PubChem CID79057467
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
SMILESC=CCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H23NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2H,1,3-12H2
InChIKeyFRDIQKKPSYIJEZ-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
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-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
The IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one (CID 79057467) is 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one.
What is the SMILES notation for 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
The canonical SMILES for 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one is C=CCC(=O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
The InChIKey is FRDIQKKPSYIJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2H,1,3-12H2.
What are the key properties of 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one is sourced from PubChem (CID 79057467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).