hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

C20H35NO3 — CID 91734595

IUPAChexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H35NO3/c1-2-3-4-7-16-24-20(23)18-12-14-21(15-13-18)19(22)11-10-17-8-5-6-9-17/h17-18H,2-16H2,1H3
InChIKeyJUUSGGFGFAGZQG-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.32
Rot. Bonds9

About hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (PubChem CID 91734595) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namehexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
PubChem CID91734595
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Namehexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H35NO3/c1-2-3-4-7-16-24-20(23)18-12-14-21(15-13-18)19(22)11-10-17-8-5-6-9-17/h17-18H,2-16H2,1H3
InChIKeyJUUSGGFGFAGZQG-UHFFFAOYSA-N
XLogP4.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (CID 91734595) is hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is CCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The InChIKey is JUUSGGFGFAGZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-2-3-4-7-16-24-20(23)18-12-14-21(15-13-18)19(22)11-10-17-8-5-6-9-17/h17-18H,2-16H2,1H3.
What are the key properties of hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91734595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).