N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide

C23H26Cl2N2O5 — CID 108935300

IUPACN-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1OC
InChIInChI=1S/C23H26Cl2N2O5/c1-30-20-5-3-16(11-21(20)31-2)23(29)26-13-15-7-9-27(10-8-15)22(28)14-32-19-6-4-17(24)12-18(19)25/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,29)
InChIKeyGIQCDFWXOPWMBW-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.06
Rot. Bonds8

About N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide

N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 108935300) has the molecular formula C23H26Cl2N2O5 and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID108935300
Molecular FormulaC23H26Cl2N2O5
Molecular Weight481.38 g/mol
Exact Mass480.12
IUPAC NameN-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1OC
InChIInChI=1S/C23H26Cl2N2O5/c1-30-20-5-3-16(11-21(20)31-2)23(29)26-13-15-7-9-27(10-8-15)22(28)14-32-19-6-4-17(24)12-18(19)25/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,29)
InChIKeyGIQCDFWXOPWMBW-UHFFFAOYSA-N
XLogP4.06
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935286
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119621544
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
CID 108935442
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide (CID 108935300) is N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1OC.
What is the InChIKey of N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is GIQCDFWXOPWMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O5/c1-30-20-5-3-16(11-21(20)31-2)23(29)26-13-15-7-9-27(10-8-15)22(28)14-32-19-6-4-17(24)12-18(19)25/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide?
N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 481.38 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).