4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C23H36N4O5 — CID 55646232

IUPAC4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)N(C)C)CC2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H36N4O5/c1-25(2)23(29)27-9-7-17(8-10-27)22(28)24-16-19(26-11-13-32-14-12-26)18-5-6-20(30-3)21(15-18)31-4/h5-6,15,17,19H,7-14,16H2,1-4H3,(H,24,28)
InChIKeyVWEDGIVOTFLKST-UHFFFAOYSA-N
MW448.56 g/mol
LogP1.59
Rot. Bonds7

About 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55646232) has the molecular formula C23H36N4O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55646232
Molecular FormulaC23H36N4O5
Molecular Weight448.56 g/mol
Exact Mass448.27
IUPAC Name4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)N(C)C)CC2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H36N4O5/c1-25(2)23(29)27-9-7-17(8-10-27)22(28)24-16-19(26-11-13-32-14-12-26)18-5-6-20(30-3)21(15-18)31-4/h5-6,15,17,19H,7-14,16H2,1-4H3,(H,24,28)
InChIKeyVWEDGIVOTFLKST-UHFFFAOYSA-N
XLogP1.59
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
CID 119830140
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
CID 119830138
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713124
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211600
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110933783
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 43060252
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
4-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646355
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24647082

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55646232) is 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is COc1ccc(C(CNC(=O)C2CCN(C(=O)N(C)C)CC2)N2CCOCC2)cc1OC.
What is the InChIKey of 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is VWEDGIVOTFLKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O5/c1-25(2)23(29)27-9-7-17(8-10-27)22(28)24-16-19(26-11-13-32-14-12-26)18-5-6-20(30-3)21(15-18)31-4/h5-6,15,17,19H,7-14,16H2,1-4H3,(H,24,28).
What are the key properties of 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 448.56 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55646232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).