3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide

C23H30N2O4 — CID 3078820

IUPAC3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCCN3CCCCC3)cc2)cc1OC
InChIInChI=1S/C23H30N2O4/c1-27-21-11-8-19(16-22(21)28-2)23(26)24-17-18-6-9-20(10-7-18)29-15-14-25-12-4-3-5-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,24,26)
InChIKeyRSPQWGFZDPESHK-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.50
Rot. Bonds9

About 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide

3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide (PubChem CID 3078820) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
PubChem CID3078820
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCCN3CCCCC3)cc2)cc1OC
InChIInChI=1S/C23H30N2O4/c1-27-21-11-8-19(16-22(21)28-2)23(26)24-17-18-6-9-20(10-7-18)29-15-14-25-12-4-3-5-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,24,26)
InChIKeyRSPQWGFZDPESHK-UHFFFAOYSA-N
XLogP3.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
N-[(4-hydroxyphenyl)methyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;hydrochloride
CID 22137378
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium
CID 25273209
4-[[[4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122087184
4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 177234140
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide (CID 3078820) is 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(OCCN3CCCCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide?
The InChIKey is RSPQWGFZDPESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-21-11-8-19(16-22(21)28-2)23(26)24-17-18-6-9-20(10-7-18)29-15-14-25-12-4-3-5-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,24,26).
What are the key properties of 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide?
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 3078820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).