naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C23H20FNO3 — CID 43000155

IUPACnaphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H20FNO3/c24-20-8-5-17(6-9-20)22(26)25-13-11-18(12-14-25)23(27)28-21-10-7-16-3-1-2-4-19(16)15-21/h1-10,15,18H,11-14H2
InChIKeyPOCQMOXPJSLMBD-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.44
Rot. Bonds3

About naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 43000155) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID43000155
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Namenaphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H20FNO3/c24-20-8-5-17(6-9-20)22(26)25-13-11-18(12-14-25)23(27)28-21-10-7-16-3-1-2-4-19(16)15-21/h1-10,15,18H,11-14H2
InChIKeyPOCQMOXPJSLMBD-UHFFFAOYSA-N
XLogP4.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl cyclopropanecarboxylate
CID 532295
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
(2,3,5-trimethylphenyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 32997684
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
trans-dinaphthalen-2-yl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 101049037
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 43038702
(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 18228909
(4-ethylsulfanylphenyl) 1-(4-methoxybenzoyl)piperidine-4-carboxylate
CID 58649393
4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871756

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 43000155) is naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is O=C(Oc1ccc2ccccc2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is POCQMOXPJSLMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-20-8-5-17(6-9-20)22(26)25-13-11-18(12-14-25)23(27)28-21-10-7-16-3-1-2-4-19(16)15-21/h1-10,15,18H,11-14H2.
What are the key properties of naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43000155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).