ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate

C23H25FN2O6 — CID 24520834

IUPACethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H25FN2O6/c1-2-30-23(29)26-13-11-18(12-14-26)25-21(27)15-31-22(28)16-3-7-19(8-4-16)32-20-9-5-17(24)6-10-20/h3-10,18H,2,11-15H2,1H3,(H,25,27)
InChIKeyZBPKBKVRSJSJRU-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.51
Rot. Bonds7

About ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate (PubChem CID 24520834) has the molecular formula C23H25FN2O6 and a molecular weight of 444.46 g/mol. Its IUPAC name is ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
PubChem CID24520834
Molecular FormulaC23H25FN2O6
Molecular Weight444.46 g/mol
Exact Mass444.17
IUPAC Nameethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H25FN2O6/c1-2-30-23(29)26-13-11-18(12-14-26)25-21(27)15-31-22(28)16-3-7-19(8-4-16)32-20-9-5-17(24)6-10-20/h3-10,18H,2,11-15H2,1H3,(H,25,27)
InChIKeyZBPKBKVRSJSJRU-UHFFFAOYSA-N
XLogP3.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34321831
ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34870859
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate (CID 24520834) is ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate?
The InChIKey is ZBPKBKVRSJSJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O6/c1-2-30-23(29)26-13-11-18(12-14-26)25-21(27)15-31-22(28)16-3-7-19(8-4-16)32-20-9-5-17(24)6-10-20/h3-10,18H,2,11-15H2,1H3,(H,25,27).
What are the key properties of ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate has a molecular weight of 444.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24520834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).