tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate

C28H45NO4 — CID 91742565

IUPACtetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C28H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33-28(31)24-19-21-29(22-20-24)27(30)25-17-14-15-18-26(25)32-2/h14-15,17-18,24H,3-13,16,19-23H2,1-2H3
InChIKeyUDBPHSKUIZFDED-UHFFFAOYSA-N
MW459.67 g/mol
LogP6.79
Rot. Bonds16

About tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate

tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 91742565) has the molecular formula C28H45NO4 and a molecular weight of 459.67 g/mol. Its IUPAC name is tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID91742565
Molecular FormulaC28H45NO4
Molecular Weight459.67 g/mol
Exact Mass459.33
IUPAC Nametetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C28H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33-28(31)24-19-21-29(22-20-24)27(30)25-17-14-15-18-26(25)32-2/h14-15,17-18,24H,3-13,16,19-23H2,1-2H3
InChIKeyUDBPHSKUIZFDED-UHFFFAOYSA-N
XLogP6.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.67
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475
decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91726527
nonyl 1-benzoylpiperidine-4-carboxylate
CID 91738796
tetradecyl 1-(2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 91715353
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
tridecyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91741958
tetradecyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91742573
octyl 1-(4-ethylbenzoyl)piperidine-4-carboxylate
CID 91737596
pentadecyl 1-[4-fluoro-2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91731540
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739829
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753

Frequently Asked Questions

What is the IUPAC name of tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate (CID 91742565) is tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate is CCCCCCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is UDBPHSKUIZFDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33-28(31)24-19-21-29(22-20-24)27(30)25-17-14-15-18-26(25)32-2/h14-15,17-18,24H,3-13,16,19-23H2,1-2H3.
What are the key properties of tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate?
tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 459.67 g/mol, XLogP of 6.79, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91742565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).