ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate

C23H32N2O6 — CID 24793236

IUPACethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)CC1
InChIInChI=1S/C23H32N2O6/c1-3-30-23(28)18-8-12-25(13-9-18)22(27)17-4-6-19(7-5-17)31-20-10-14-24(15-11-20)21(26)16-29-2/h4-7,18,20H,3,8-16H2,1-2H3
InChIKeyPIOSJAYDPZUQGO-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.12
Rot. Bonds7

About ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate

ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate (PubChem CID 24793236) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
PubChem CID24793236
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Nameethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)CC1
InChIInChI=1S/C23H32N2O6/c1-3-30-23(28)18-8-12-25(13-9-18)22(27)17-4-6-19(7-5-17)31-20-10-14-24(15-11-20)21(26)16-29-2/h4-7,18,20H,3,8-16H2,1-2H3
InChIKeyPIOSJAYDPZUQGO-UHFFFAOYSA-N
XLogP2.12
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate (CID 24793236) is ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
The InChIKey is PIOSJAYDPZUQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-3-30-23(28)18-8-12-25(13-9-18)22(27)17-4-6-19(7-5-17)31-20-10-14-24(15-11-20)21(26)16-29-2/h4-7,18,20H,3,8-16H2,1-2H3.
What are the key properties of ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 24793236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).