4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C18H27N3O4 — CID 3242125

IUPAC4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C18H27N3O4/c1-20(2)18(23)21-9-7-13(8-10-21)17(22)19-12-14-11-15(24-3)5-6-16(14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyXLAOMBKJIQEQDA-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.71
Rot. Bonds5

About 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 3242125) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID3242125
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C18H27N3O4/c1-20(2)18(23)21-9-7-13(8-10-21)17(22)19-12-14-11-15(24-3)5-6-16(14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyXLAOMBKJIQEQDA-UHFFFAOYSA-N
XLogP1.71
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 3242125) is 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is COc1ccc(OC)c(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is XLAOMBKJIQEQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-20(2)18(23)21-9-7-13(8-10-21)17(22)19-12-14-11-15(24-3)5-6-16(14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,22).
What are the key properties of 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-dimethoxyphenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3242125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).