[4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone

C32H30Cl3N3O3 — CID 46081276

IUPAC[4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1Oc1ccc(Cl)cc1)N1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C32H30Cl3N3O3/c33-25-8-4-23(5-9-25)30(24-6-10-26(34)11-7-24)40-22-2-17-37-18-20-38(21-19-37)32(39)29-3-1-16-36-31(29)41-28-14-12-27(35)13-15-28/h1,3-16,30H,2,17-22H2
InChIKeyFYWOHDZQFKCVQY-UHFFFAOYSA-N
MW610.97 g/mol
LogP7.79
Rot. Bonds10

About [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone

[4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone (PubChem CID 46081276) has the molecular formula C32H30Cl3N3O3 and a molecular weight of 610.97 g/mol. Its IUPAC name is [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone
PubChem CID46081276
Molecular FormulaC32H30Cl3N3O3
Molecular Weight610.97 g/mol
Exact Mass609.14
IUPAC Name[4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1Oc1ccc(Cl)cc1)N1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C32H30Cl3N3O3/c33-25-8-4-23(5-9-25)30(24-6-10-26(34)11-7-24)40-22-2-17-37-18-20-38(21-19-37)32(39)29-3-1-16-36-31(29)41-28-14-12-27(35)13-15-28/h1,3-16,30H,2,17-22H2
InChIKeyFYWOHDZQFKCVQY-UHFFFAOYSA-N
XLogP7.79
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.97
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]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

2-[4-[2-(4-chlorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442664
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 44756891
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946209
methyl 4-[[(1R)-1-(4-chlorophenyl)-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]ethoxy]methyl]benzoate
CID 98402504
[4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl]-(2-chloro-3-pyridinyl)methanone
CID 46091185
[4-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl]-(2-chloro-3-pyridinyl)methanone
CID 92771126
[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025

Frequently Asked Questions

What is the IUPAC name of [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone (CID 46081276) is [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone is O=C(c1cccnc1Oc1ccc(Cl)cc1)N1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone?
The InChIKey is FYWOHDZQFKCVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl3N3O3/c33-25-8-4-23(5-9-25)30(24-6-10-26(34)11-7-24)40-22-2-17-37-18-20-38(21-19-37)32(39)29-3-1-16-36-31(29)41-28-14-12-27(35)13-15-28/h1,3-16,30H,2,17-22H2.
What are the key properties of [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone?
[4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone has a molecular weight of 610.97 g/mol, XLogP of 7.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 46081276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).