[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone

C16H14Cl3N3O — CID 134100572

IUPAC[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H14Cl3N3O/c17-11-4-5-13(18)12(10-11)16(23)22-8-6-21(7-9-22)15-3-1-2-14(19)20-15/h1-5,10H,6-9H2
InChIKeyJAWOBEYMQMJVPX-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.00
Rot. Bonds2

About [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone

[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 134100572) has the molecular formula C16H14Cl3N3O and a molecular weight of 370.67 g/mol. Its IUPAC name is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID134100572
Molecular FormulaC16H14Cl3N3O
Molecular Weight370.67 g/mol
Exact Mass369.02
IUPAC Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H14Cl3N3O/c17-11-4-5-13(18)12(10-11)16(23)22-8-6-21(7-9-22)15-3-1-2-14(19)20-15/h1-5,10H,6-9H2
InChIKeyJAWOBEYMQMJVPX-UHFFFAOYSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55876984
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55860229
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134
N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55860616
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 60526232
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281052
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55860227

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone (CID 134100572) is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is JAWOBEYMQMJVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O/c17-11-4-5-13(18)12(10-11)16(23)22-8-6-21(7-9-22)15-3-1-2-14(19)20-15/h1-5,10H,6-9H2.
What are the key properties of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone?
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 370.67 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 134100572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).