3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

C25H33N3O6 — CID 55952881

IUPAC3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C25H33N3O6/c1-31-20-8-6-5-7-17(20)16-28-11-9-19(10-12-28)27-23(29)15-26-25(30)18-13-21(32-2)24(34-4)22(14-18)33-3/h5-8,13-14,19H,9-12,15-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyPPKUZFBJQGBEHG-UHFFFAOYSA-N
MW471.55 g/mol
LogP2.23
Rot. Bonds10

About 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 55952881) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID55952881
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Name3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1CN1CCC(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C25H33N3O6/c1-31-20-8-6-5-7-17(20)16-28-11-9-19(10-12-28)27-23(29)15-26-25(30)18-13-21(32-2)24(34-4)22(14-18)33-3/h5-8,13-14,19H,9-12,15-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyPPKUZFBJQGBEHG-UHFFFAOYSA-N
XLogP2.23
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55951097
3,4,5-trimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 55429146
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
3,4,5-trimethoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 55951861
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 55951851
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
methyl 5-acetyl-2-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55977808

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 55952881) is 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is COc1ccccc1CN1CCC(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is PPKUZFBJQGBEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6/c1-31-20-8-6-5-7-17(20)16-28-11-9-19(10-12-28)27-23(29)15-26-25(30)18-13-21(32-2)24(34-4)22(14-18)33-3/h5-8,13-14,19H,9-12,15-16H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 471.55 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55952881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).