3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide

C22H36N4O — CID 109490910

IUPAC3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
SMILESCCCC1(C)CCCN(/C(=N/CCc2cccc(C(=O)NC)c2)NCC)C1
InChIInChI=1S/C22H36N4O/c1-5-12-22(3)13-8-15-26(17-22)21(24-6-2)25-14-11-18-9-7-10-19(16-18)20(27)23-4/h7,9-10,16H,5-6,8,11-15,17H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyCNPNFSVBELHVSB-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.46
Rot. Bonds7

About 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide

3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide (PubChem CID 109490910) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
PubChem CID109490910
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
SMILESCCCC1(C)CCCN(/C(=N/CCc2cccc(C(=O)NC)c2)NCC)C1
InChIInChI=1S/C22H36N4O/c1-5-12-22(3)13-8-15-26(17-22)21(24-6-2)25-14-11-18-9-7-10-19(16-18)20(27)23-4/h7,9-10,16H,5-6,8,11-15,17H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyCNPNFSVBELHVSB-UHFFFAOYSA-N
XLogP3.46
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109490146
N-[2-(dimethylamino)ethyl]-3-[[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109490951
N-ethyl-3-methyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490099
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 109490632
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide
CID 109490790
3-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111632276
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 109490789
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
3-[2-[[N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)carbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632103

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide (CID 109490910) is 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide is CCCC1(C)CCCN(/C(=N/CCc2cccc(C(=O)NC)c2)NCC)C1.
What is the InChIKey of 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide?
The InChIKey is CNPNFSVBELHVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-5-12-22(3)13-8-15-26(17-22)21(24-6-2)25-14-11-18-9-7-10-19(16-18)20(27)23-4/h7,9-10,16H,5-6,8,11-15,17H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide?
3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide has a molecular weight of 372.56 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide is sourced from PubChem (CID 109490910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).