N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide

C22H23N3O3 — CID 156653483

IUPACN-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide
SMILESCC1CCN(C(=O)c2cccc(/N=C(\NO)c3ccc4occc4c3)c2)CC1
InChIInChI=1S/C22H23N3O3/c1-15-7-10-25(11-8-15)22(26)18-3-2-4-19(14-18)23-21(24-27)17-5-6-20-16(13-17)9-12-28-20/h2-6,9,12-15,27H,7-8,10-11H2,1H3,(H,23,24)
InChIKeyYTFBGCDYUPSMAX-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.36
Rot. Bonds3

About N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide

N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide (PubChem CID 156653483) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide
PubChem CID156653483
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide
SMILESCC1CCN(C(=O)c2cccc(/N=C(\NO)c3ccc4occc4c3)c2)CC1
InChIInChI=1S/C22H23N3O3/c1-15-7-10-25(11-8-15)22(26)18-3-2-4-19(14-18)23-21(24-27)17-5-6-20-16(13-17)9-12-28-20/h2-6,9,12-15,27H,7-8,10-11H2,1H3,(H,23,24)
InChIKeyYTFBGCDYUPSMAX-UHFFFAOYSA-N
XLogP4.36
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-1-benzofuran-5-carboximidamide
CID 156653490
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboximidamide
CID 156653496
N'-(3-acetylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
CID 156653457
N'-(3,4-difluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
CID 156653461
N'-(3,4-dimethylphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
CID 156653469
3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-(cyclohexylmethyl)benzamide
CID 156653471
N-hydroxy-N'-(3-phenoxyphenyl)-1-benzofuran-5-carboximidamide
CID 156653479
N'-(3-fluorophenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
CID 156653480
N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
CID 156653481
3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide
CID 156653487
N'-(3-fluorophenyl)-N-hydroxy-2-phenyl-1-benzofuran-5-carboximidamide
CID 156653499
N-hydroxy-N'-phenyl-1-benzofuran-5-carboximidamide
CID 156653500

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide?
The IUPAC name of N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide (CID 156653483) is N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide?
The canonical SMILES for N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide is CC1CCN(C(=O)c2cccc(/N=C(\NO)c3ccc4occc4c3)c2)CC1.
What is the InChIKey of N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide?
The InChIKey is YTFBGCDYUPSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-7-10-25(11-8-15)22(26)18-3-2-4-19(14-18)23-21(24-27)17-5-6-20-16(13-17)9-12-28-20/h2-6,9,12-15,27H,7-8,10-11H2,1H3,(H,23,24).
What are the key properties of N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide?
N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide has a molecular weight of 377.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[3-(4-methylpiperidine-1-carbonyl)phenyl]-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).