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

C23H41NO3 — CID 91738870

IUPACnonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C23H41NO3/c1-2-3-4-5-6-7-10-19-27-23(26)21-15-17-24(18-16-21)22(25)14-13-20-11-8-9-12-20/h20-21H,2-19H2,1H3
InChIKeyAGHBGYKNBBJXDT-UHFFFAOYSA-N
MW379.59 g/mol
LogP5.49
Rot. Bonds12

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

nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (PubChem CID 91738870) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namenonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
PubChem CID91738870
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Namenonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C23H41NO3/c1-2-3-4-5-6-7-10-19-27-23(26)21-15-17-24(18-16-21)22(25)14-13-20-11-8-9-12-20/h20-21H,2-19H2,1H3
InChIKeyAGHBGYKNBBJXDT-UHFFFAOYSA-N
XLogP5.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.49
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 nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (CID 91738870) is nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is CCCCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The InChIKey is AGHBGYKNBBJXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO3/c1-2-3-4-5-6-7-10-19-27-23(26)21-15-17-24(18-16-21)22(25)14-13-20-11-8-9-12-20/h20-21H,2-19H2,1H3.
What are the key properties of nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate has a molecular weight of 379.59 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91738870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).