N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide

C19H20BrN3O2 — CID 4661898

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O
InChIInChI=1S/C19H20BrN3O2/c20-15-6-7-18(24)17(12-15)19(25)22-21-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2,(H,22,25)
InChIKeyKJOFDNKPJXWZKN-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.54
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide

N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide (PubChem CID 4661898) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide
PubChem CID4661898
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide
SMILESO=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O
InChIInChI=1S/C19H20BrN3O2/c20-15-6-7-18(24)17(12-15)19(25)22-21-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2,(H,22,25)
InChIKeyKJOFDNKPJXWZKN-UHFFFAOYSA-N
XLogP3.54
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-Benzyl-4-piperidinylidene)-2-hydroxybenzohydrazide
CID 773952
5-bromo-N'-cyclopentylidene-2-hydroxybenzohydrazide
CID 17374439
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
5-bromo-N'-(3-cyclohexen-1-ylmethylene)-2-hydroxybenzohydrazide
CID 5339505
5-bromo-N'-[(1E)-ethylidene]-2-hydroxybenzohydrazide
CID 9680538
N-{2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135401388
N'-[(Z)-(3-bromo-4-fluorophenyl)methylidene]-2-hydroxybenzohydrazide (25)
CID 6008457
5-bromo-2-hydroxy-N'-[(1E)-2-methylpropylidene]benzohydrazide
CID 9616086
5-bromo-N'-[(1E)-butylidene]-2-hydroxybenzohydrazide
CID 9630123
(E)-N'-(5-bromo-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135455512
N-[(1Z,3E)-1-[[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]carbamoyl]-4-phenyl-buta-1,3-dienyl]benzamide
CID 135465435

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide (CID 4661898) is N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide is O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide?
The InChIKey is KJOFDNKPJXWZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c20-15-6-7-18(24)17(12-15)19(25)22-21-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2,(H,22,25).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide has a molecular weight of 402.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 4661898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).