2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C18H18ClFN4O2 — CID 9021871

IUPAC2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)nc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN4O2/c19-16-6-1-13(11-21-16)18(26)24-9-7-23(8-10-24)12-17(25)22-15-4-2-14(20)3-5-15/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyQVAMQGRMUHVTMR-UHFFFAOYSA-N
MW376.82 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 9021871) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID9021871
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC Name2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)nc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN4O2/c19-16-6-1-13(11-21-16)18(26)24-9-7-23(8-10-24)12-17(25)22-15-4-2-14(20)3-5-15/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyQVAMQGRMUHVTMR-UHFFFAOYSA-N
XLogP2.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9022059
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
CID 27849909
N-(4-fluorophenyl)-2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 55699772
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9217847
N-(4-fluorophenyl)-2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]acetamide
CID 9021895

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 9021871) is 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)c2ccc(Cl)nc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is QVAMQGRMUHVTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c19-16-6-1-13(11-21-16)18(26)24-9-7-23(8-10-24)12-17(25)22-15-4-2-14(20)3-5-15/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 376.82 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9021871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).