3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

C28H31Cl2N3O3 — CID 22052323

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C28H31Cl2N3O3/c1-19-26(35-2)15-22(16-27(19)36-14-9-21-3-4-23(29)17-25(21)30)28(34)32-18-20-7-12-33(13-8-20)24-5-10-31-11-6-24/h3-6,10-11,15-17,20H,7-9,12-14,18H2,1-2H3,(H,32,34)
InChIKeyCRHWKPQYKCDTLK-UHFFFAOYSA-N
MW528.48 g/mol
LogP5.97
Rot. Bonds9

About 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 22052323) has the molecular formula C28H31Cl2N3O3 and a molecular weight of 528.48 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID22052323
Molecular FormulaC28H31Cl2N3O3
Molecular Weight528.48 g/mol
Exact Mass527.17
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C28H31Cl2N3O3/c1-19-26(35-2)15-22(16-27(19)36-14-9-21-3-4-23(29)17-25(21)30)28(34)32-18-20-7-12-33(13-8-20)24-5-10-31-11-6-24/h3-6,10-11,15-17,20H,7-9,12-14,18H2,1-2H3,(H,32,34)
InChIKeyCRHWKPQYKCDTLK-UHFFFAOYSA-N
XLogP5.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide 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

3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-4-ylpiperidin-4-YL)methyl]benzamide
CID 6420136
4-chloro-3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 9937410
5-[2-(2,4-dichlorophenyl)ethoxy]-1-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzene-1,3-dicarboxamide
CID 10052619
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(2-methylpyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 11466687
4-{[4-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methylphenyl}carbonyl)piperazin-1-yl]methyl}-1-oxidopyridin-1-ium
CID 11488924
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4,5-dimethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11785872
3-[2-(2,4-dichlorophenyl)ethoxy]-4-(methylamino)-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052309
3-[2-(2,4-dichlorophenyl)ethoxy]-4,5-dimethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052319
4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052320
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052325
3-[2-(2,4-dichlorophenyl)ethoxy]-4-acetamido-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052326

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (CID 22052323) is 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is CRHWKPQYKCDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N3O3/c1-19-26(35-2)15-22(16-27(19)36-14-9-21-3-4-23(29)17-25(21)30)28(34)32-18-20-7-12-33(13-8-20)24-5-10-31-11-6-24/h3-6,10-11,15-17,20H,7-9,12-14,18H2,1-2H3,(H,32,34).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 528.48 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 22052323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).