3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide

C17H34N4O — CID 111153753

IUPAC3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(CC)CC)N1CC(C)CC(C)C1
InChIInChI=1S/C17H34N4O/c1-6-18-17(21-12-14(4)11-15(5)13-21)19-10-9-16(22)20(7-2)8-3/h14-15H,6-13H2,1-5H3,(H,18,19)
InChIKeyZWENQCFGFJUFNG-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.19
Rot. Bonds6

About 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide

3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide (PubChem CID 111153753) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
PubChem CID111153753
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(CC)CC)N1CC(C)CC(C)C1
InChIInChI=1S/C17H34N4O/c1-6-18-17(21-12-14(4)11-15(5)13-21)19-10-9-16(22)20(7-2)8-3/h14-15H,6-13H2,1-5H3,(H,18,19)
InChIKeyZWENQCFGFJUFNG-UHFFFAOYSA-N
XLogP2.19
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.19
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'}

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Related Compounds

3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111154267
ethyl 4-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]butanoate
CID 111154581
N-benzyl-3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-methylpropanamide;hydroiodide
CID 111154715
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-3,5-dimethylpiperidine-1-carboximidamide
CID 111154529
N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983767
3-[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 109415279
N,N-diethyl-3-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]propanamide
CID 111148661
4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962582
N,N-diethyl-3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 109453823
N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 111154559
N-ethyl-3,5-dimethyl-N'-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111153452
N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111153665

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide (CID 111153753) is 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide is CCN/C(=N\CCC(=O)N(CC)CC)N1CC(C)CC(C)C1.
What is the InChIKey of 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
The InChIKey is ZWENQCFGFJUFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-6-18-17(21-12-14(4)11-15(5)13-21)19-10-9-16(22)20(7-2)8-3/h14-15H,6-13H2,1-5H3,(H,18,19).
What are the key properties of 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide?
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide has a molecular weight of 310.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 111153753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).