4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C17H23N3O4 — CID 4694780

IUPAC4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H23N3O4/c1-19(2)17(22)20-7-5-13(6-8-20)16(21)18-10-12-3-4-14-15(9-12)24-11-23-14/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyJVEGTPUFBXXEGH-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.43
Rot. Bonds3

About 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 4694780) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID4694780
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H23N3O4/c1-19(2)17(22)20-7-5-13(6-8-20)16(21)18-10-12-3-4-14-15(9-12)24-11-23-14/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyJVEGTPUFBXXEGH-UHFFFAOYSA-N
XLogP1.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 4694780) is 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is JVEGTPUFBXXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-19(2)17(22)20-7-5-13(6-8-20)16(21)18-10-12-3-4-14-15(9-12)24-11-23-14/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 4694780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).