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

C20H29NO5 — CID 66797658

IUPACmethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
SMILESCCON1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(=O)OC)CC1
InChIInChI=1S/C20H29NO5/c1-6-25-21-9-7-20(8-10-21,19(23)24-5)26-18(22)13-17-15(3)11-14(2)12-16(17)4/h11-12H,6-10,13H2,1-5H3
InChIKeyJNYLRQZSQUIWES-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.66
Rot. Bonds6

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

methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate (PubChem CID 66797658) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
PubChem CID66797658
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Namemethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
SMILESCCON1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(=O)OC)CC1
InChIInChI=1S/C20H29NO5/c1-6-25-21-9-7-20(8-10-21,19(23)24-5)26-18(22)13-17-15(3)11-14(2)12-16(17)4/h11-12H,6-10,13H2,1-5H3
InChIKeyJNYLRQZSQUIWES-UHFFFAOYSA-N
XLogP2.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The IUPAC name of methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate (CID 66797658) is methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The canonical SMILES for methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate is CCON1CCC(OC(=O)Cc2c(C)cc(C)cc2C)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The InChIKey is JNYLRQZSQUIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-6-25-21-9-7-20(8-10-21,19(23)24-5)26-18(22)13-17-15(3)11-14(2)12-16(17)4/h11-12H,6-10,13H2,1-5H3.
What are the key properties of methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate has a molecular weight of 363.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate is sourced from PubChem (CID 66797658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).