ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate

C27H29N3O6 — CID 55311360

IUPACethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CC1
InChIInChI=1S/C27H29N3O6/c1-3-35-26(32)19-13-15-29(16-14-19)24(31)18-36-27(33)22-17-30(20-9-5-4-6-10-20)28-25(22)21-11-7-8-12-23(21)34-2/h4-12,17,19H,3,13-16,18H2,1-2H3
InChIKeyGWQSXITYQBOWMK-UHFFFAOYSA-N
MW491.54 g/mol
LogP3.51
Rot. Bonds8

About ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 55311360) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID55311360
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Nameethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CC1
InChIInChI=1S/C27H29N3O6/c1-3-35-26(32)19-13-15-29(16-14-19)24(31)18-36-27(33)22-17-30(20-9-5-4-6-10-20)28-25(22)21-11-7-8-12-23(21)34-2/h4-12,17,19H,3,13-16,18H2,1-2H3
InChIKeyGWQSXITYQBOWMK-UHFFFAOYSA-N
XLogP3.51
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 27555135
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 31155703
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523412
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 55555560
N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39510688
[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684989
ethyl 1-[2-(2-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 9454739
ethyl 1-[2-(1-hydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7891146
ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
CID 31763477
ethyl 1-[2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 8628629
ethyl 1-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55306358
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate (CID 55311360) is ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CC1.
What is the InChIKey of ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is GWQSXITYQBOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-3-35-26(32)19-13-15-29(16-14-19)24(31)18-36-27(33)22-17-30(20-9-5-4-6-10-20)28-25(22)21-11-7-8-12-23(21)34-2/h4-12,17,19H,3,13-16,18H2,1-2H3.
What are the key properties of ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 491.54 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55311360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).