N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide

C21H27IN4O2 — CID 111061692

IUPACN-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
SMILESI.O=C(NCC/N=C(\Nc1ccccc1)N1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H26N4O2.HI/c26-19-11-9-17(10-12-19)20(27)22-13-14-23-21(25-15-5-2-6-16-25)24-18-7-3-1-4-8-18;/h1,3-4,7-12,26H,2,5-6,13-16H2,(H,22,27)(H,23,24);1H
InChIKeyMHKZUGNMJDEMMG-UHFFFAOYSA-N
MW494.38 g/mol
LogP3.69
Rot. Bonds5

About N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide

N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide (PubChem CID 111061692) has the molecular formula C21H27IN4O2 and a molecular weight of 494.38 g/mol. Its IUPAC name is N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
PubChem CID111061692
Molecular FormulaC21H27IN4O2
Molecular Weight494.38 g/mol
Exact Mass494.12
IUPAC NameN-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
SMILESI.O=C(NCC/N=C(\Nc1ccccc1)N1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H26N4O2.HI/c26-19-11-9-17(10-12-19)20(27)22-13-14-23-21(25-15-5-2-6-16-25)24-18-7-3-1-4-8-18;/h1,3-4,7-12,26H,2,5-6,13-16H2,(H,22,27)(H,23,24);1H
InChIKeyMHKZUGNMJDEMMG-UHFFFAOYSA-N
XLogP3.69
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.38
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
4-bromo-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110956743
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
propan-2-yl 3-[[anilino(piperidin-1-yl)methylidene]amino]propanoate
CID 111037118

Frequently Asked Questions

What is the IUPAC name of N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide?
The IUPAC name of N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide (CID 111061692) is N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide?
The canonical SMILES for N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide is I.O=C(NCC/N=C(\Nc1ccccc1)N1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide?
The InChIKey is MHKZUGNMJDEMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.HI/c26-19-11-9-17(10-12-19)20(27)22-13-14-23-21(25-15-5-2-6-16-25)24-18-7-3-1-4-8-18;/h1,3-4,7-12,26H,2,5-6,13-16H2,(H,22,27)(H,23,24);1H.
What are the key properties of N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide?
N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide has a molecular weight of 494.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide is sourced from PubChem (CID 111061692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).