nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

C22H39NO3 — CID 91738873

IUPACnonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-11-18-26-22(25)20-14-16-23(17-15-20)21(24)19-12-9-8-10-13-19/h19-20H,2-18H2,1H3
InChIKeyJUATXFKFQIKUOR-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.10
Rot. Bonds10

About nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (PubChem CID 91738873) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namenonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
PubChem CID91738873
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Namenonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-11-18-26-22(25)20-14-16-23(17-15-20)21(24)19-12-9-8-10-13-19/h19-20H,2-18H2,1H3
InChIKeyJUATXFKFQIKUOR-UHFFFAOYSA-N
XLogP5.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.10
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-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (CID 91738873) is nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is CCCCCCCCCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The InChIKey is JUATXFKFQIKUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-11-18-26-22(25)20-14-16-23(17-15-20)21(24)19-12-9-8-10-13-19/h19-20H,2-18H2,1H3.
What are the key properties of nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate has a molecular weight of 365.56 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91738873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).