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

C22H33NO6 — CID 66797830

IUPACethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OCCOC)CC1
InChIInChI=1S/C22H33NO6/c1-6-27-21(25)22(7-9-23(10-8-22)28-12-11-26-5)29-20(24)15-19-17(3)13-16(2)14-18(19)4/h13-14H,6-12,15H2,1-5H3
InChIKeyLPLWWAKYINPIKO-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.67
Rot. Bonds9

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

ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate (PubChem CID 66797830) has the molecular formula C22H33NO6 and a molecular weight of 407.51 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
PubChem CID66797830
Molecular FormulaC22H33NO6
Molecular Weight407.51 g/mol
Exact Mass407.23
IUPAC Nameethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OCCOC)CC1
InChIInChI=1S/C22H33NO6/c1-6-27-21(25)22(7-9-23(10-8-22)28-12-11-26-5)29-20(24)15-19-17(3)13-16(2)14-18(19)4/h13-14H,6-12,15H2,1-5H3
InChIKeyLPLWWAKYINPIKO-UHFFFAOYSA-N
XLogP2.67
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate (CID 66797830) is ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate is CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OCCOC)CC1.
What is the InChIKey of ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
The InChIKey is LPLWWAKYINPIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO6/c1-6-27-21(25)22(7-9-23(10-8-22)28-12-11-26-5)29-20(24)15-19-17(3)13-16(2)14-18(19)4/h13-14H,6-12,15H2,1-5H3.
What are the key properties of ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate?
ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate has a molecular weight of 407.51 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate is sourced from PubChem (CID 66797830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).