methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate

C20H30N2O4 — CID 58537913

IUPACmethyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate
SMILESCOC(=O)C1(N(C)C(=O)Cc2cc(C)c(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C20H30N2O4/c1-14-11-16(3)17(12-15(14)2)13-18(23)21(4)20(19(24)25-5)7-9-22(26-6)10-8-20/h11-12H,7-10,13H2,1-6H3
InChIKeyHELUVFRBPUYYMQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.18
Rot. Bonds5

About methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate

methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate (PubChem CID 58537913) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate
PubChem CID58537913
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate
SMILESCOC(=O)C1(N(C)C(=O)Cc2cc(C)c(C)cc2C)CCN(OC)CC1
InChIInChI=1S/C20H30N2O4/c1-14-11-16(3)17(12-15(14)2)13-18(23)21(4)20(19(24)25-5)7-9-22(26-6)10-8-20/h11-12H,7-10,13H2,1-6H3
InChIKeyHELUVFRBPUYYMQ-UHFFFAOYSA-N
XLogP2.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
The IUPAC name of methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate (CID 58537913) is methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate is COC(=O)C1(N(C)C(=O)Cc2cc(C)c(C)cc2C)CCN(OC)CC1.
What is the InChIKey of methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
The InChIKey is HELUVFRBPUYYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14-11-16(3)17(12-15(14)2)13-18(23)21(4)20(19(24)25-5)7-9-22(26-6)10-8-20/h11-12H,7-10,13H2,1-6H3.
What are the key properties of methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate?
methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-4-[methyl-[2-(2,4,5-trimethylphenyl)acetyl]amino]piperidine-4-carboxylate is sourced from PubChem (CID 58537913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).