(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C17H17ClFN3O2 — CID 84575957

IUPAC(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)n1
InChIInChI=1S/C17H17ClFN3O2/c1-24-16-11-12(10-15(18)20-16)17(23)22-8-6-21(7-9-22)14-4-2-13(19)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyKUPHLVFSLLUWNG-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.85
Rot. Bonds3

About (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 84575957) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID84575957
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)n1
InChIInChI=1S/C17H17ClFN3O2/c1-24-16-11-12(10-15(18)20-16)17(23)22-8-6-21(7-9-22)14-4-2-13(19)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyKUPHLVFSLLUWNG-UHFFFAOYSA-N
XLogP2.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.85
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

(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081433
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 84575966
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 172648268
1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
CID 91955128

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 84575957) is (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is KUPHLVFSLLUWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-24-16-11-12(10-15(18)20-16)17(23)22-8-6-21(7-9-22)14-4-2-13(19)3-5-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 349.79 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 84575957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).