[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate

C27H34N2O6 — CID 4880586

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2C(C(=O)OCC(=O)NC(C)(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C27H34N2O6/c1-17-7-10-19(11-8-17)29-24(31)14-12-20(26(32)35-16-23(30)28-27(2,3)4)25(29)18-9-13-21(33-5)22(15-18)34-6/h7-11,13,15,20,25H,12,14,16H2,1-6H3,(H,28,30)
InChIKeyQSGBUTLVYIZKDF-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.95
Rot. Bonds7

About [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate

[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 4880586) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID4880586
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2C(C(=O)OCC(=O)NC(C)(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C27H34N2O6/c1-17-7-10-19(11-8-17)29-24(31)14-12-20(26(32)35-16-23(30)28-27(2,3)4)25(29)18-9-13-21(33-5)22(15-18)34-6/h7-11,13,15,20,25H,12,14,16H2,1-6H3,(H,28,30)
InChIKeyQSGBUTLVYIZKDF-UHFFFAOYSA-N
XLogP3.95
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate (CID 4880586) is [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(C2C(C(=O)OCC(=O)NC(C)(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is QSGBUTLVYIZKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-17-7-10-19(11-8-17)29-24(31)14-12-20(26(32)35-16-23(30)28-27(2,3)4)25(29)18-9-13-21(33-5)22(15-18)34-6/h7-11,13,15,20,25H,12,14,16H2,1-6H3,(H,28,30).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 4880586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).