decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

C24H34F3NO3 — CID 91726527

IUPACdecyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-11-18-31-23(30)19-14-16-28(17-15-19)22(29)20-12-9-10-13-21(20)24(25,26)27/h9-10,12-13,19H,2-8,11,14-18H2,1H3
InChIKeyPTQVJPUSVFSEGC-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.24
Rot. Bonds11

About decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 91726527) has the molecular formula C24H34F3NO3 and a molecular weight of 441.53 g/mol. Its IUPAC name is decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namedecyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
PubChem CID91726527
Molecular FormulaC24H34F3NO3
Molecular Weight441.53 g/mol
Exact Mass441.25
IUPAC Namedecyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-11-18-31-23(30)19-14-16-28(17-15-19)22(29)20-12-9-10-13-21(20)24(25,26)27/h9-10,12-13,19H,2-8,11,14-18H2,1H3
InChIKeyPTQVJPUSVFSEGC-UHFFFAOYSA-N
XLogP6.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetradecyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91742573
tridecyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91741958
pentadecyl 1-[4-fluoro-2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91731540
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475
decyl 1-[2-fluoro-6-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91731474
tetradecyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91742565
nonyl 1-benzoylpiperidine-4-carboxylate
CID 91738796
octyl 1-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91731427
butyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569491
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326
ethyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730817
icosyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91744892

Frequently Asked Questions

What is the IUPAC name of decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (CID 91726527) is decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is CCCCCCCCCCOC(=O)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is PTQVJPUSVFSEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-11-18-31-23(30)19-14-16-28(17-15-19)22(29)20-12-9-10-13-21(20)24(25,26)27/h9-10,12-13,19H,2-8,11,14-18H2,1H3.
What are the key properties of decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 6.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 91726527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).