(4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone

C18H15FN4O3 — CID 145477528

IUPAC(4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone
SMILESO=Nc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c2nonc12
InChIInChI=1S/C18H15FN4O3/c19-13-3-1-11(2-4-13)18(24)12-7-9-23(10-8-12)15-6-5-14(20-25)16-17(15)22-26-21-16/h1-6,12H,7-10H2
InChIKeyWAYVBNAWRBUMOR-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.86
Rot. Bonds4

About (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone (PubChem CID 145477528) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone
PubChem CID145477528
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name(4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone
SMILESO=Nc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c2nonc12
InChIInChI=1S/C18H15FN4O3/c19-13-3-1-11(2-4-13)18(24)12-7-9-23(10-8-12)15-6-5-14(20-25)16-17(15)22-26-21-16/h1-6,12H,7-10H2
InChIKeyWAYVBNAWRBUMOR-UHFFFAOYSA-N
XLogP3.86
TPSA88.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
CID 130450896
[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67173303
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
(4-fluorophenyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 25233587
[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 173404581
(4-fluorophenyl)-[1-(spiro[3.5]nonane-7-carbonyl)piperidin-4-yl]methanone
CID 154877652
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone (CID 145477528) is (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone is O=Nc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c2nonc12.
What is the InChIKey of (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone?
The InChIKey is WAYVBNAWRBUMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-13-3-1-11(2-4-13)18(24)12-7-9-23(10-8-12)15-6-5-14(20-25)16-17(15)22-26-21-16/h1-6,12H,7-10H2.
What are the key properties of (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone has a molecular weight of 354.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 145477528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).