[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone

C16H15ClFN3O — CID 70315409

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccnc1F)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H15ClFN3O/c17-13-5-1-2-6-14(13)20-8-10-21(11-9-20)16(22)12-4-3-7-19-15(12)18/h1-7H,8-11H2
InChIKeyAYXKPVGYAFSAHZ-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.84
Rot. Bonds2

About [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone

[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone (PubChem CID 70315409) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
PubChem CID70315409
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccnc1F)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H15ClFN3O/c17-13-5-1-2-6-14(13)20-8-10-21(11-9-20)16(22)12-4-3-7-19-15(12)18/h1-7H,8-11H2
InChIKeyAYXKPVGYAFSAHZ-UHFFFAOYSA-N
XLogP2.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.84
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

[4-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 166404625
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
1-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 114037699
[4-(2-nitrophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 26782974
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 131929401
(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079758
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone (CID 70315409) is [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone is O=C(c1cccnc1F)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone?
The InChIKey is AYXKPVGYAFSAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c17-13-5-1-2-6-14(13)20-8-10-21(11-9-20)16(22)12-4-3-7-19-15(12)18/h1-7H,8-11H2.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone has a molecular weight of 319.77 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 70315409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).