[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C23H34N2O6 — CID 31711582

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1OCC
InChIInChI=1S/C23H34N2O6/c1-6-29-18-9-8-17(14-19(18)30-7-2)24-20(26)15-31-21(27)16-10-12-25(13-11-16)22(28)23(3,4)5/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,24,26)
InChIKeyUIJPPNBGTXQZDC-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.25
Rot. Bonds8

About [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 31711582) has the molecular formula C23H34N2O6 and a molecular weight of 434.53 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID31711582
Molecular FormulaC23H34N2O6
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1OCC
InChIInChI=1S/C23H34N2O6/c1-6-29-18-9-8-17(14-19(18)30-7-2)24-20(26)15-31-21(27)16-10-12-25(13-11-16)22(28)23(3,4)5/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,24,26)
InChIKeyUIJPPNBGTXQZDC-UHFFFAOYSA-N
XLogP3.25
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711351
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
[2-(2-nitroanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812419
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 27045677
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003591
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 31711582) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is CCOc1ccc(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is UIJPPNBGTXQZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O6/c1-6-29-18-9-8-17(14-19(18)30-7-2)24-20(26)15-31-21(27)16-10-12-25(13-11-16)22(28)23(3,4)5/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,24,26).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 434.53 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 31711582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).