[3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C27H29Cl2N3O3 — CID 11752638

IUPAC[3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H29Cl2N3O3/c1-2-34-25-6-4-22(17-26(25)35-16-9-21-3-5-23(28)18-24(21)29)27(33)32-14-12-31(13-15-32)19-20-7-10-30-11-8-20/h3-8,10-11,17-18H,2,9,12-16,19H2,1H3
InChIKeyIIIZKJYRBVJHEI-UHFFFAOYSA-N
MW514.45 g/mol
LogP5.37
Rot. Bonds9

About [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 11752638) has the molecular formula C27H29Cl2N3O3 and a molecular weight of 514.45 g/mol. Its IUPAC name is [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID11752638
Molecular FormulaC27H29Cl2N3O3
Molecular Weight514.45 g/mol
Exact Mass513.16
IUPAC Name[3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H29Cl2N3O3/c1-2-34-25-6-4-22(17-26(25)35-16-9-21-3-5-23(28)18-24(21)29)27(33)32-14-12-31(13-15-32)19-20-7-10-30-11-8-20/h3-8,10-11,17-18H,2,9,12-16,19H2,1H3
InChIKeyIIIZKJYRBVJHEI-UHFFFAOYSA-N
XLogP5.37
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone 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
5-[2-(2,4-dichlorophenyl)ethoxy]-1-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzene-1,3-dicarboxamide
CID 10052619
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyrimidin-4-yl)piperidin-4-yl]methyl}benzamide
CID 11156562
4-{5-[({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}formamido)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-1-oxidopyridin-1-ium
CID 11341303
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]-4,5-dimethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052319
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052325
3-[2-(5-chloropyridin-2-yl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052339

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 11752638) is [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IIIZKJYRBVJHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N3O3/c1-2-34-25-6-4-22(17-26(25)35-16-9-21-3-5-23(28)18-24(21)29)27(33)32-14-12-31(13-15-32)19-20-7-10-30-11-8-20/h3-8,10-11,17-18H,2,9,12-16,19H2,1H3.
What are the key properties of [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 514.45 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxyphenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 11752638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).