ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate

C18H22ClNO6 — CID 4097124

IUPACethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClNO6/c1-2-24-18(23)13-7-9-20(10-8-13)16(21)11-26-17(22)12-25-15-5-3-14(19)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyFZDLYHXNSZCJFT-UHFFFAOYSA-N
MW383.83 g/mol
LogP2.06
Rot. Bonds7

About ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 4097124) has the molecular formula C18H22ClNO6 and a molecular weight of 383.83 g/mol. Its IUPAC name is ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID4097124
Molecular FormulaC18H22ClNO6
Molecular Weight383.83 g/mol
Exact Mass383.11
IUPAC Nameethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClNO6/c1-2-24-18(23)13-7-9-20(10-8-13)16(21)11-26-17(22)12-25-15-5-3-14(19)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyFZDLYHXNSZCJFT-UHFFFAOYSA-N
XLogP2.06
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate (CID 4097124) is ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is FZDLYHXNSZCJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO6/c1-2-24-18(23)13-7-9-20(10-8-13)16(21)11-26-17(22)12-25-15-5-3-14(19)4-6-15/h3-6,13H,2,7-12H2,1H3.
What are the key properties of ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 383.83 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 4097124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).