3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

C23H28N2O5 — CID 26330254

IUPAC3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(Cc3cccc4c3OCO4)CC2)c1
InChIInChI=1S/C23H28N2O5/c1-27-13-10-24-23(26)17-4-2-6-20(14-17)30-19-8-11-25(12-9-19)15-18-5-3-7-21-22(18)29-16-28-21/h2-7,14,19H,8-13,15-16H2,1H3,(H,24,26)
InChIKeyRMYDDXIGBIGUBX-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.83
Rot. Bonds8

About 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (PubChem CID 26330254) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
PubChem CID26330254
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(Cc3cccc4c3OCO4)CC2)c1
InChIInChI=1S/C23H28N2O5/c1-27-13-10-24-23(26)17-4-2-6-20(14-17)30-19-8-11-25(12-9-19)15-18-5-3-7-21-22(18)29-16-28-21/h2-7,14,19H,8-13,15-16H2,1H3,(H,24,26)
InChIKeyRMYDDXIGBIGUBX-UHFFFAOYSA-N
XLogP2.83
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72935386
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42527160
N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
CID 23723255
3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72839965
3-chloro-4-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42190947
N-[2-(dimethylamino)ethyl]-3-[1-[[3-[2-(4-fluorophenyl)ethynyl]phenyl]methyl]piperidin-4-yl]oxybenzamide
CID 71170949
3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 42557626
N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
CID 4992251
3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 10572037
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (CID 26330254) is 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(OC2CCN(Cc3cccc4c3OCO4)CC2)c1.
What is the InChIKey of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The InChIKey is RMYDDXIGBIGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-27-13-10-24-23(26)17-4-2-6-20(14-17)30-19-8-11-25(12-9-19)15-18-5-3-7-21-22(18)29-16-28-21/h2-7,14,19H,8-13,15-16H2,1H3,(H,24,26).
What are the key properties of 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 26330254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).