ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate

C21H31NO5 — CID 66797600

IUPACethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OCC)CC1
InChIInChI=1S/C21H31NO5/c1-6-25-20(24)21(8-10-22(11-9-21)26-7-2)27-19(23)14-18-16(4)12-15(3)13-17(18)5/h12-13H,6-11,14H2,1-5H3
InChIKeyJZMMRUSAIMZGIZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.05
Rot. Bonds7

About ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate

ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate (PubChem CID 66797600) has the molecular formula C21H31NO5 and a molecular weight of 377.48 g/mol. Its IUPAC name is ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
PubChem CID66797600
Molecular FormulaC21H31NO5
Molecular Weight377.48 g/mol
Exact Mass377.22
IUPAC Nameethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OCC)CC1
InChIInChI=1S/C21H31NO5/c1-6-25-20(24)21(8-10-22(11-9-21)26-7-2)27-19(23)14-18-16(4)12-15(3)13-17(18)5/h12-13H,6-11,14H2,1-5H3
InChIKeyJZMMRUSAIMZGIZ-UHFFFAOYSA-N
XLogP3.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate (CID 66797600) is ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate is CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OCC)CC1.
What is the InChIKey of ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The InChIKey is JZMMRUSAIMZGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO5/c1-6-25-20(24)21(8-10-22(11-9-21)26-7-2)27-19(23)14-18-16(4)12-15(3)13-17(18)5/h12-13H,6-11,14H2,1-5H3.
What are the key properties of ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate has a molecular weight of 377.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate is sourced from PubChem (CID 66797600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).