N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

C20H40N4O — CID 111960771

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCCN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C20H40N4O/c1-5-25-19-8-12-24(13-9-19)20(21-4)22-10-6-7-11-23-15-17(2)14-18(3)16-23/h17-19H,5-16H2,1-4H3,(H,21,22)
InChIKeyGWDRPUOXIOYJOZ-UHFFFAOYSA-N
MW352.57 g/mol
LogP2.82
Rot. Bonds7

About N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (PubChem CID 111960771) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
PubChem CID111960771
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCCCN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C20H40N4O/c1-5-25-19-8-12-24(13-9-19)20(21-4)22-10-6-7-11-23-15-17(2)14-18(3)16-23/h17-19H,5-16H2,1-4H3,(H,21,22)
InChIKeyGWDRPUOXIOYJOZ-UHFFFAOYSA-N
XLogP2.82
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448411
4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 111959859
methyl 5-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 111960285
ethyl 1-[N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157413
N-[3-(diethylamino)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959725
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739753
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959165
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111946144
ethyl 1-[N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154957
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111959822
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (CID 111960771) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCCCN2CC(C)CC(C)C2)CC1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The InChIKey is GWDRPUOXIOYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O/c1-5-25-19-8-12-24(13-9-19)20(21-4)22-10-6-7-11-23-15-17(2)14-18(3)16-23/h17-19H,5-16H2,1-4H3,(H,21,22).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide has a molecular weight of 352.57 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111960771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).