2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide

C25H31ClN2O5 — CID 108935285

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC
InChIInChI=1S/C25H31ClN2O5/c1-16-11-20(12-17(2)24(16)26)33-15-23(29)27-14-18-7-9-28(10-8-18)25(30)19-5-6-21(31-3)22(13-19)32-4/h5-6,11-13,18H,7-10,14-15H2,1-4H3,(H,27,29)
InChIKeyZLXDMULGZSKBFI-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.02
Rot. Bonds8

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 108935285) has the molecular formula C25H31ClN2O5 and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID108935285
Molecular FormulaC25H31ClN2O5
Molecular Weight474.99 g/mol
Exact Mass474.19
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC
InChIInChI=1S/C25H31ClN2O5/c1-16-11-20(12-17(2)24(16)26)33-15-23(29)27-14-18-7-9-28(10-8-18)25(30)19-5-6-21(31-3)22(13-19)32-4/h5-6,11-13,18H,7-10,14-15H2,1-4H3,(H,27,29)
InChIKeyZLXDMULGZSKBFI-UHFFFAOYSA-N
XLogP4.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108935291
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 108533479
3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
CID 108935463
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 71571421
(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-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927064
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)prop-2-enamide
CID 108935511
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108552732

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide (CID 108935285) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide is COc1ccc(C(=O)N2CCC(CNC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is ZLXDMULGZSKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O5/c1-16-11-20(12-17(2)24(16)26)33-15-23(29)27-14-18-7-9-28(10-8-18)25(30)19-5-6-21(31-3)22(13-19)32-4/h5-6,11-13,18H,7-10,14-15H2,1-4H3,(H,27,29).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 474.99 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108935285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).