3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide

C24H30N2O6 — CID 108549305

IUPAC3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)COc3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O6/c1-16-5-7-19(8-6-16)32-15-22(27)26-11-9-18(10-12-26)25-24(28)17-13-20(29-2)23(31-4)21(14-17)30-3/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,25,28)
InChIKeyLYHKVPMSBNOTFK-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.82
Rot. Bonds8

About 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide

3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108549305) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108549305
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)COc3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O6/c1-16-5-7-19(8-6-16)32-15-22(27)26-11-9-18(10-12-26)25-24(28)17-13-20(29-2)23(31-4)21(14-17)30-3/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,25,28)
InChIKeyLYHKVPMSBNOTFK-UHFFFAOYSA-N
XLogP2.82
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108549305) is 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide is COc1cc(C(=O)NC2CCN(C(=O)COc3ccc(C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is LYHKVPMSBNOTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-16-5-7-19(8-6-16)32-15-22(27)26-11-9-18(10-12-26)25-24(28)17-13-20(29-2)23(31-4)21(14-17)30-3/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,25,28).
What are the key properties of 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide?
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 442.51 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).