butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C17H22FNO3 — CID 91711955

IUPACbutyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c1-2-3-12-22-17(21)14-8-10-19(11-9-14)16(20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3
InChIKeyUEWSLCIHCLUWND-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.02
Rot. Bonds5

About butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 91711955) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID91711955
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Namebutyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO3/c1-2-3-12-22-17(21)14-8-10-19(11-9-14)16(20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3
InChIKeyUEWSLCIHCLUWND-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl 1-(4-fluorobenzoyl)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

3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
butyl 1-(2,5-difluorobenzoyl)piperidine-4-carboxylate
CID 91717479
octyl 1-(4-ethylbenzoyl)piperidine-4-carboxylate
CID 91737596
nonyl 1-benzoylpiperidine-4-carboxylate
CID 91738796
butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate
CID 108563672
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
butyl 1-(2-methoxybenzoyl)piperidine-4-carboxylate
CID 91715326
icosyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91744892

Frequently Asked Questions

What is the IUPAC name of butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 91711955) is butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is CCCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is UEWSLCIHCLUWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-2-3-12-22-17(21)14-8-10-19(11-9-14)16(20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91711955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).