N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide

C17H33IN4O — CID 111209855

IUPACN-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)C1CCCCC1)N1CCC(C)CC1.I
InChIInChI=1S/C17H32N4O.HI/c1-14-8-12-21(13-9-14)17(18-2)20-11-10-19-16(22)15-6-4-3-5-7-15;/h14-15H,3-13H2,1-2H3,(H,18,20)(H,19,22);1H
InChIKeyBCCXOCXWPSVUJO-UHFFFAOYSA-N
MW436.38 g/mol
LogP2.61
Rot. Bonds4

About N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide

N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide (PubChem CID 111209855) has the molecular formula C17H33IN4O and a molecular weight of 436.38 g/mol. Its IUPAC name is N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
PubChem CID111209855
Molecular FormulaC17H33IN4O
Molecular Weight436.38 g/mol
Exact Mass436.17
IUPAC NameN-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)C1CCCCC1)N1CCC(C)CC1.I
InChIInChI=1S/C17H32N4O.HI/c1-14-8-12-21(13-9-14)17(18-2)20-11-10-19-16(22)15-6-4-3-5-7-15;/h14-15H,3-13H2,1-2H3,(H,18,20)(H,19,22);1H
InChIKeyBCCXOCXWPSVUJO-UHFFFAOYSA-N
XLogP2.61
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N',4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211464
N-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130831
3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111210468
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752257
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
1-[4-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111212022
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752258
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]cyclohexanecarboxamide
CID 111225319
N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934216

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide?
The IUPAC name of N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide (CID 111209855) is N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide?
The canonical SMILES for N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide is C/N=C(\NCCNC(=O)C1CCCCC1)N1CCC(C)CC1.I.
What is the InChIKey of N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide?
The InChIKey is BCCXOCXWPSVUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O.HI/c1-14-8-12-21(13-9-14)17(18-2)20-11-10-19-16(22)15-6-4-3-5-7-15;/h14-15H,3-13H2,1-2H3,(H,18,20)(H,19,22);1H.
What are the key properties of N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide?
N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide has a molecular weight of 436.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide is sourced from PubChem (CID 111209855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).