N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide

C20H41N5 — CID 109490117

IUPACN-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CC(C)N2CCN(C)CC2)NCC)C1
InChIInChI=1S/C20H41N5/c1-6-9-20(4)10-8-11-25(17-20)19(21-7-2)22-16-18(3)24-14-12-23(5)13-15-24/h18H,6-17H2,1-5H3,(H,21,22)
InChIKeyWIWKRVAJFQYNMV-UHFFFAOYSA-N
MW351.58 g/mol
LogP2.49
Rot. Bonds6

About N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide

N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide (PubChem CID 109490117) has the molecular formula C20H41N5 and a molecular weight of 351.58 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
PubChem CID109490117
Molecular FormulaC20H41N5
Molecular Weight351.58 g/mol
Exact Mass351.34
IUPAC NameN-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CC(C)N2CCN(C)CC2)NCC)C1
InChIInChI=1S/C20H41N5/c1-6-9-20(4)10-8-11-25(17-20)19(21-7-2)22-16-18(3)24-14-12-23(5)13-15-24/h18H,6-17H2,1-5H3,(H,21,22)
InChIKeyWIWKRVAJFQYNMV-UHFFFAOYSA-N
XLogP2.49
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490945
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490448
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490338
N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490325
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 111739906
ethyl 4-[N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111164575

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide (CID 109490117) is N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/CC(C)N2CCN(C)CC2)NCC)C1.
What is the InChIKey of N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide?
The InChIKey is WIWKRVAJFQYNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5/c1-6-9-20(4)10-8-11-25(17-20)19(21-7-2)22-16-18(3)24-14-12-23(5)13-15-24/h18H,6-17H2,1-5H3,(H,21,22).
What are the key properties of N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide?
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide has a molecular weight of 351.58 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).