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

C15H25NO — CID 79179559

IUPAC3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
SMILESC=C(C)CC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H25NO/c1-13(2)12-14(17)15(8-4-5-9-15)16-10-6-3-7-11-16/h1,3-12H2,2H3
InChIKeyRCVMEQAZJAXTGI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds4

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

3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one (PubChem CID 79179559) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
PubChem CID79179559
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one
SMILESC=C(C)CC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H25NO/c1-13(2)12-14(17)15(8-4-5-9-15)16-10-6-3-7-11-16/h1,3-12H2,2H3
InChIKeyRCVMEQAZJAXTGI-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
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 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
The IUPAC name of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one (CID 79179559) is 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one.
What is the SMILES notation for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
The canonical SMILES for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one is C=C(C)CC(=O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
The InChIKey is RCVMEQAZJAXTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(2)12-14(17)15(8-4-5-9-15)16-10-6-3-7-11-16/h1,3-12H2,2H3.
What are the key properties of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one?
3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-one is sourced from PubChem (CID 79179559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).