1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one

C15H23NO — CID 79058731

IUPAC1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one
SMILESCC#CCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H23NO/c1-2-3-9-14(17)15(10-5-6-11-15)16-12-7-4-8-13-16/h4-13H2,1H3
InChIKeyBNKSGRRVVIIRGX-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.77
Rot. Bonds3

About 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one

1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one (PubChem CID 79058731) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one.

Molecular Properties

Compound Name1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one
PubChem CID79058731
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one
SMILESCC#CCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H23NO/c1-2-3-9-14(17)15(10-5-6-11-15)16-12-7-4-8-13-16/h4-13H2,1H3
InChIKeyBNKSGRRVVIIRGX-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one?
The IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one (CID 79058731) is 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one.
What is the SMILES notation for 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one?
The canonical SMILES for 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one is CC#CCC(=O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one?
The InChIKey is BNKSGRRVVIIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-9-14(17)15(10-5-6-11-15)16-12-7-4-8-13-16/h4-13H2,1H3.
What are the key properties of 1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one?
1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one has a molecular weight of 233.35 g/mol, XLogP of 2.77, 3 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)pent-3-yn-1-one is sourced from PubChem (CID 79058731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).