methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate

C25H38N2O6 — CID 58428215

IUPACmethyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate
SMILESCOC(=O)C1(N(OCC2CCOCC2)C(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C25H38N2O6/c1-18-14-19(2)22(20(3)15-18)16-23(28)27(33-17-21-6-12-32-13-7-21)25(24(29)30-4)8-10-26(31-5)11-9-25/h14-15,21H,6-13,16-17H2,1-5H3
InChIKeyICDWFUUGLLBFHB-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.91
Rot. Bonds8

About methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate

methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate (PubChem CID 58428215) has the molecular formula C25H38N2O6 and a molecular weight of 462.59 g/mol. Its IUPAC name is methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate
PubChem CID58428215
Molecular FormulaC25H38N2O6
Molecular Weight462.59 g/mol
Exact Mass462.27
IUPAC Namemethyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate
SMILESCOC(=O)C1(N(OCC2CCOCC2)C(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C25H38N2O6/c1-18-14-19(2)22(20(3)15-18)16-23(28)27(33-17-21-6-12-32-13-7-21)25(24(29)30-4)8-10-26(31-5)11-9-25/h14-15,21H,6-13,16-17H2,1-5H3
InChIKeyICDWFUUGLLBFHB-UHFFFAOYSA-N
XLogP2.91
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
The IUPAC name of methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate (CID 58428215) is methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate is COC(=O)C1(N(OCC2CCOCC2)C(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1.
What is the InChIKey of methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
The InChIKey is ICDWFUUGLLBFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O6/c1-18-14-19(2)22(20(3)15-18)16-23(28)27(33-17-21-6-12-32-13-7-21)25(24(29)30-4)8-10-26(31-5)11-9-25/h14-15,21H,6-13,16-17H2,1-5H3.
What are the key properties of methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate has a molecular weight of 462.59 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-4-[oxan-4-ylmethoxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate is sourced from PubChem (CID 58428215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).