[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H24FN3O2 — CID 91959193

IUPAC[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H24FN3O2/c22-18-6-4-17(5-7-18)21(8-15-27-16-9-21)20(26)25-13-11-24(12-14-25)19-3-1-2-10-23-19/h1-7,10H,8-9,11-16H2
InChIKeyTYWDSUOIJXOJDC-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.62
Rot. Bonds3

About [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 91959193) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID91959193
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H24FN3O2/c22-18-6-4-17(5-7-18)21(8-15-27-16-9-21)20(26)25-13-11-24(12-14-25)19-3-1-2-10-23-19/h1-7,10H,8-9,11-16H2
InChIKeyTYWDSUOIJXOJDC-UHFFFAOYSA-N
XLogP2.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 47718009
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 113198678
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537107
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 60582798
1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300084
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 121113860
4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86969014
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90503589
[4-(4-fluorophenyl)oxan-4-yl]-(3-hydroxy-3-pyridin-3-ylazetidin-1-yl)methanone
CID 166306652
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 91959193) is [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccn2)CC1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is TYWDSUOIJXOJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-6-4-17(5-7-18)21(8-15-27-16-9-21)20(26)25-13-11-24(12-14-25)19-3-1-2-10-23-19/h1-7,10H,8-9,11-16H2.
What are the key properties of [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 369.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 91959193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).