N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide

C25H32N2O5 — CID 108935291

IUPACN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)COc3ccc(C)c(C)c3)CC2)cc1OC
InChIInChI=1S/C25H32N2O5/c1-17-5-7-21(13-18(17)2)32-16-24(28)26-15-19-9-11-27(12-10-19)25(29)20-6-8-22(30-3)23(14-20)31-4/h5-8,13-14,19H,9-12,15-16H2,1-4H3,(H,26,28)
InChIKeySSYBOQHGPOSVDJ-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.37
Rot. Bonds8

About N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide

N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 108935291) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID108935291
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)COc3ccc(C)c(C)c3)CC2)cc1OC
InChIInChI=1S/C25H32N2O5/c1-17-5-7-21(13-18(17)2)32-16-24(28)26-15-19-9-11-27(12-10-19)25(29)20-6-8-22(30-3)23(14-20)31-4/h5-8,13-14,19H,9-12,15-16H2,1-4H3,(H,26,28)
InChIKeySSYBOQHGPOSVDJ-UHFFFAOYSA-N
XLogP3.37
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 108935285
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3,4-dimethylpent-2-enamide
CID 108935551
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
CID 108935463
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 110289562
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)prop-2-enamide
CID 108935511
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
[3-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927064
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide (CID 108935291) is N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide is COc1ccc(C(=O)N2CCC(CNC(=O)COc3ccc(C)c(C)c3)CC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is SSYBOQHGPOSVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-17-5-7-21(13-18(17)2)32-16-24(28)26-15-19-9-11-27(12-10-19)25(29)20-6-8-22(30-3)23(14-20)31-4/h5-8,13-14,19H,9-12,15-16H2,1-4H3,(H,26,28).
What are the key properties of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 440.54 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108935291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).