N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide

C20H33IN4O — CID 111211586

IUPACN-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N(C)Cc1ccccc1)N1CCC(C)CC1.I
InChIInChI=1S/C20H32N4O.HI/c1-4-21-20(24-14-11-17(2)12-15-24)22-13-10-19(25)23(3)16-18-8-6-5-7-9-18;/h5-9,17H,4,10-16H2,1-3H3,(H,21,22);1H
InChIKeyMTQHPISVOAFVJP-UHFFFAOYSA-N
MW472.42 g/mol
LogP3.35
Rot. Bonds6

About N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide

N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide (PubChem CID 111211586) has the molecular formula C20H33IN4O and a molecular weight of 472.42 g/mol. Its IUPAC name is N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide.

Molecular Properties

Compound NameN-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide
PubChem CID111211586
Molecular FormulaC20H33IN4O
Molecular Weight472.42 g/mol
Exact Mass472.17
IUPAC NameN-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N(C)Cc1ccccc1)N1CCC(C)CC1.I
InChIInChI=1S/C20H32N4O.HI/c1-4-21-20(24-14-11-17(2)12-15-24)22-13-10-19(25)23(3)16-18-8-6-5-7-9-18;/h5-9,17H,4,10-16H2,1-3H3,(H,21,22);1H
InChIKeyMTQHPISVOAFVJP-UHFFFAOYSA-N
XLogP3.35
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-benzyl-3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-methylpropanamide;hydroiodide
CID 111154715
N-benzyl-3-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-methylpropanamide;hydroiodide
CID 109378413
N-ethyl-4-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111211833
N-benzyl-3-[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]-N-methylpropanamide;hydroiodide
CID 109435260
N-benzyl-3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N-methylpropanamide;hydroiodide
CID 111018714
N-ethyl-4-methyl-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
CID 111210298
N'-[3-(benzenesulfonyl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111210234
(3R)-N'-[2-[benzyl(methyl)amino]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550409
N-ethyl-4-methyl-N'-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111211666
4-benzyl-N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152663
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
N'-[3-[benzyl(methyl)amino]propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide?
The IUPAC name of N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide (CID 111211586) is N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide.
What is the SMILES notation for N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide?
The canonical SMILES for N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide is CCN/C(=N\CCC(=O)N(C)Cc1ccccc1)N1CCC(C)CC1.I.
What is the InChIKey of N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide?
The InChIKey is MTQHPISVOAFVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.HI/c1-4-21-20(24-14-11-17(2)12-15-24)22-13-10-19(25)23(3)16-18-8-6-5-7-9-18;/h5-9,17H,4,10-16H2,1-3H3,(H,21,22);1H.
What are the key properties of N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide?
N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methylpropanamide;hydroiodide is sourced from PubChem (CID 111211586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).