1-cyclopentyl-5-piperidin-1-ylpentan-1-one

C15H27NO — CID 18790304

IUPAC1-cyclopentyl-5-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCCCC1)C1CCCC1
InChIInChI=1S/C15H27NO/c17-15(14-8-2-3-9-14)10-4-7-13-16-11-5-1-6-12-16/h14H,1-13H2
InChIKeyROSQNIUQFWSZCM-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.40
Rot. Bonds6

About 1-cyclopentyl-5-piperidin-1-ylpentan-1-one

1-cyclopentyl-5-piperidin-1-ylpentan-1-one (PubChem CID 18790304) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclopentyl-5-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-5-piperidin-1-ylpentan-1-one
PubChem CID18790304
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclopentyl-5-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCCCC1)C1CCCC1
InChIInChI=1S/C15H27NO/c17-15(14-8-2-3-9-14)10-4-7-13-16-11-5-1-6-12-16/h14H,1-13H2
InChIKeyROSQNIUQFWSZCM-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-piperidin-1-ylpentan-1-one?
The IUPAC name of 1-cyclopentyl-5-piperidin-1-ylpentan-1-one (CID 18790304) is 1-cyclopentyl-5-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 1-cyclopentyl-5-piperidin-1-ylpentan-1-one?
The canonical SMILES for 1-cyclopentyl-5-piperidin-1-ylpentan-1-one is O=C(CCCCN1CCCCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-piperidin-1-ylpentan-1-one?
The InChIKey is ROSQNIUQFWSZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15(14-8-2-3-9-14)10-4-7-13-16-11-5-1-6-12-16/h14H,1-13H2.
What are the key properties of 1-cyclopentyl-5-piperidin-1-ylpentan-1-one?
1-cyclopentyl-5-piperidin-1-ylpentan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 18790304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).