[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone

C18H19F2N3O2 — CID 139375886

IUPAC[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone
SMILESO=C(c1ccc(NO)cc1)N1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H19F2N3O2/c19-15-9-13(10-16(20)11-15)12-22-5-7-23(8-6-22)18(24)14-1-3-17(21-25)4-2-14/h1-4,9-11,21,25H,5-8,12H2
InChIKeyMNLOYHBOXAXJAO-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.72
Rot. Bonds4

About [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone

[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone (PubChem CID 139375886) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone.

Molecular Properties

Compound Name[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone
PubChem CID139375886
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone
SMILESO=C(c1ccc(NO)cc1)N1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H19F2N3O2/c19-15-9-13(10-16(20)11-15)12-22-5-7-23(8-6-22)18(24)14-1-3-17(21-25)4-2-14/h1-4,9-11,21,25H,5-8,12H2
InChIKeyMNLOYHBOXAXJAO-UHFFFAOYSA-N
XLogP2.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 86781778
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-(1,2-dimethylpyrrol-3-yl)methanone
CID 118768297
(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23824420
(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
4-[[3-fluoro-5-[(4-fluorophenyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylic acid
CID 68547760
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone?
The IUPAC name of [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone (CID 139375886) is [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone.
What is the SMILES notation for [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone?
The canonical SMILES for [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone is O=C(c1ccc(NO)cc1)N1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone?
The InChIKey is MNLOYHBOXAXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-15-9-13(10-16(20)11-15)12-22-5-7-23(8-6-22)18(24)14-1-3-17(21-25)4-2-14/h1-4,9-11,21,25H,5-8,12H2.
What are the key properties of [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone?
[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone has a molecular weight of 347.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroxyamino)phenyl]methanone is sourced from PubChem (CID 139375886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).