nonyl 1-benzoylpiperidine-4-carboxylate

C22H33NO3 — CID 91738796

IUPACnonyl 1-benzoylpiperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H33NO3/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/h8-10,12-13,20H,2-7,11,14-18H2,1H3
InChIKeyWUDUHXZFIKXNJP-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.83
Rot. Bonds10

About nonyl 1-benzoylpiperidine-4-carboxylate

nonyl 1-benzoylpiperidine-4-carboxylate (PubChem CID 91738796) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is nonyl 1-benzoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namenonyl 1-benzoylpiperidine-4-carboxylate
PubChem CID91738796
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Namenonyl 1-benzoylpiperidine-4-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H33NO3/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/h8-10,12-13,20H,2-7,11,14-18H2,1H3
InChIKeyWUDUHXZFIKXNJP-UHFFFAOYSA-N
XLogP4.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.83
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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Related Compounds

octyl 1-(4-ethylbenzoyl)piperidine-4-carboxylate
CID 91737596
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91742565
decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91726527
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
icosyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91744892
octyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91731428
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588

Frequently Asked Questions

What is the IUPAC name of nonyl 1-benzoylpiperidine-4-carboxylate?
The IUPAC name of nonyl 1-benzoylpiperidine-4-carboxylate (CID 91738796) is nonyl 1-benzoylpiperidine-4-carboxylate.
What is the SMILES notation for nonyl 1-benzoylpiperidine-4-carboxylate?
The canonical SMILES for nonyl 1-benzoylpiperidine-4-carboxylate is CCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of nonyl 1-benzoylpiperidine-4-carboxylate?
The InChIKey is WUDUHXZFIKXNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/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/h8-10,12-13,20H,2-7,11,14-18H2,1H3.
What are the key properties of nonyl 1-benzoylpiperidine-4-carboxylate?
nonyl 1-benzoylpiperidine-4-carboxylate has a molecular weight of 359.51 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-benzoylpiperidine-4-carboxylate is sourced from PubChem (CID 91738796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).