[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone

C19H23FN4O2 — CID 109152902

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C19H23FN4O2/c1-26-13-8-21-18-7-6-15(14-22-18)19(25)24-11-9-23(10-12-24)17-5-3-2-4-16(17)20/h2-7,14H,8-13H2,1H3,(H,21,22)
InChIKeyDLHUGXDJOCNFML-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.24
Rot. Bonds6

About [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone (PubChem CID 109152902) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
PubChem CID109152902
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C19H23FN4O2/c1-26-13-8-21-18-7-6-15(14-22-18)19(25)24-11-9-23(10-12-24)17-5-3-2-4-16(17)20/h2-7,14H,8-13H2,1H3,(H,21,22)
InChIKeyDLHUGXDJOCNFML-UHFFFAOYSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-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

[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109082360
[6-(3-methoxypropylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109153147
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251538
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112885713
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 118183032

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone (CID 109152902) is [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone is COCCNc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
The InChIKey is DLHUGXDJOCNFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-26-13-8-21-18-7-6-15(14-22-18)19(25)24-11-9-23(10-12-24)17-5-3-2-4-16(17)20/h2-7,14H,8-13H2,1H3,(H,21,22).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone has a molecular weight of 358.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109152902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).