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

C23H32IN5O2 — CID 111993822

IUPACN-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C23H31N5O2.HI/c1-2-24-23(26-15-14-25-22(30)20-10-6-7-11-21(20)29)27-18-12-16-28(17-13-18)19-8-4-3-5-9-19;/h3-11,18,29H,2,12-17H2,1H3,(H,25,30)(H2,24,26,27);1H
InChIKeyGPGKNALJLGAMQV-UHFFFAOYSA-N
MW537.45 g/mol
LogP2.96
Rot. Bonds7

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

N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide (PubChem CID 111993822) has the molecular formula C23H32IN5O2 and a molecular weight of 537.45 g/mol. Its IUPAC name is N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
PubChem CID111993822
Molecular FormulaC23H32IN5O2
Molecular Weight537.45 g/mol
Exact Mass537.16
IUPAC NameN-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C23H31N5O2.HI/c1-2-24-23(26-15-14-25-22(30)20-10-6-7-11-21(20)29)27-18-12-16-28(17-13-18)19-8-4-3-5-9-19;/h3-11,18,29H,2,12-17H2,1H3,(H,25,30)(H2,24,26,27);1H
InChIKeyGPGKNALJLGAMQV-UHFFFAOYSA-N
XLogP2.96
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.45
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[2-[[ethylamino-[[1-(3-fluorophenyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994220
N-[2-[[ethylamino-[(1-pyridin-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111993344
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111994679
N-[2-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994192
N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111142070
N-[2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]ethyl]acetamide
CID 111909163
N-[2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111910648
N-[2-[[ethylamino-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111997423
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
N-[2-[[ethylamino-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111995202
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 109440895
1-ethyl-2-(2-methoxyethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide (CID 111993822) is N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide is CCN/C(=N\CCNC(=O)c1ccccc1O)NC1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The InChIKey is GPGKNALJLGAMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2.HI/c1-2-24-23(26-15-14-25-22(30)20-10-6-7-11-21(20)29)27-18-12-16-28(17-13-18)19-8-4-3-5-9-19;/h3-11,18,29H,2,12-17H2,1H3,(H,25,30)(H2,24,26,27);1H.
What are the key properties of N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide has a molecular weight of 537.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide is sourced from PubChem (CID 111993822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).