N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide

C18H35IN4O — CID 111154717

IUPACN',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(=O)N1CCCC(C)C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C18H34N4O.HI/c1-14-6-5-9-21(11-14)17(23)7-8-20-18(19-4)22-12-15(2)10-16(3)13-22;/h14-16H,5-13H2,1-4H3,(H,19,20);1H
InChIKeyGGBSALNPHRVQAG-UHFFFAOYSA-N
MW450.41 g/mol
LogP2.81
Rot. Bonds3

About N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide

N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111154717) has the molecular formula C18H35IN4O and a molecular weight of 450.41 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111154717
Molecular FormulaC18H35IN4O
Molecular Weight450.41 g/mol
Exact Mass450.19
IUPAC NameN',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(=O)N1CCCC(C)C1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C18H34N4O.HI/c1-14-6-5-9-21(11-14)17(23)7-8-20-18(19-4)22-12-15(2)10-16(3)13-22;/h14-16H,5-13H2,1-4H3,(H,19,20);1H
InChIKeyGGBSALNPHRVQAG-UHFFFAOYSA-N
XLogP2.81
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 52.81
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'}

Analyze N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961354
3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111153605
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348
N-cyclohexyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111145291
N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111154151
1-hexyl-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111162197
4-(furan-2-carbonyl)-N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboximidamide
CID 111169022
3-(4-methoxyphenyl)-N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide
CID 111731433
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111404802
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 110998832
1-benzyl-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 110953435
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide (CID 111154717) is N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCC(=O)N1CCCC(C)C1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is GGBSALNPHRVQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.HI/c1-14-6-5-9-21(11-14)17(23)7-8-20-18(19-4)22-12-15(2)10-16(3)13-22;/h14-16H,5-13H2,1-4H3,(H,19,20);1H.
What are the key properties of N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide?
N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 450.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111154717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).