[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone

C17H15Cl4N3O2 — CID 26912380

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C17H15Cl4N3O2/c1-26-11-5-3-2-4-10(11)23-6-8-24(9-7-23)17(25)15-13(19)12(18)14(20)16(21)22-15/h2-5H,6-9H2,1H3
InChIKeyBEXNRMBMXUNHOC-UHFFFAOYSA-N
MW435.14 g/mol
LogP4.67
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone (PubChem CID 26912380) has the molecular formula C17H15Cl4N3O2 and a molecular weight of 435.14 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone
PubChem CID26912380
Molecular FormulaC17H15Cl4N3O2
Molecular Weight435.14 g/mol
Exact Mass432.99
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C17H15Cl4N3O2/c1-26-11-5-3-2-4-10(11)23-6-8-24(9-7-23)17(25)15-13(19)12(18)14(20)16(21)22-15/h2-5H,6-9H2,1H3
InChIKeyBEXNRMBMXUNHOC-UHFFFAOYSA-N
XLogP4.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2557287
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(4-chlorothieno[3,2-c]quinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46256029
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146080208
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
(7-chloroisoquinolin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 134091245
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718644
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42537622

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone (CID 26912380) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone is COc1ccccc1N1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone?
The InChIKey is BEXNRMBMXUNHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl4N3O2/c1-26-11-5-3-2-4-10(11)23-6-8-24(9-7-23)17(25)15-13(19)12(18)14(20)16(21)22-15/h2-5H,6-9H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone has a molecular weight of 435.14 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone is sourced from PubChem (CID 26912380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).