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

C20H37NO3 — CID 91738851

IUPACnonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-15-24-20(23)18-11-13-21(14-12-18)19(22)16-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyQVCPMONAMQUXIE-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.56
Rot. Bonds11

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

nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (PubChem CID 91738851) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namenonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
PubChem CID91738851
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Namenonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-15-24-20(23)18-11-13-21(14-12-18)19(22)16-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyQVCPMONAMQUXIE-UHFFFAOYSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.56
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-methylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (CID 91738851) is nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is CCCCCCCCCOC(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The InChIKey is QVCPMONAMQUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-15-24-20(23)18-11-13-21(14-12-18)19(22)16-17(2)3/h17-18H,4-16H2,1-3H3.
What are the key properties of nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate has a molecular weight of 339.52 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91738851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).