N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide

C18H34N4O — CID 111154151

IUPACN-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCCC1)N1CC(C)CC(C)C1
InChIInChI=1S/C18H34N4O/c1-14-11-15(2)13-22(12-14)18(19-3)20-10-9-17(23)21-16-7-5-4-6-8-16/h14-16H,4-13H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyLLNYTKABSZHLQV-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.38
Rot. Bonds4

About N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide

N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide (PubChem CID 111154151) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
PubChem CID111154151
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC NameN-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCCC1)N1CC(C)CC(C)C1
InChIInChI=1S/C18H34N4O/c1-14-11-15(2)13-22(12-14)18(19-3)20-10-9-17(23)21-16-7-5-4-6-8-16/h14-16H,4-13H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyLLNYTKABSZHLQV-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
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

N-cyclohexyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111145291
3-[[C-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-N-methylcarbonimidoyl]amino]-N-cyclohexylpropanamide
CID 119143994
3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111153605
N',3,5-trimethyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboximidamide;hydroiodide
CID 111154717
N-cyclohexyl-2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111153660
N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
CID 109425898
N-benzyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111154521
3-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamide;hydroiodide
CID 109443558
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520617
N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide (CID 111154151) is N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide is C/N=C(\NCCC(=O)NC1CCCCC1)N1CC(C)CC(C)C1.
What is the InChIKey of N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
The InChIKey is LLNYTKABSZHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-14-11-15(2)13-22(12-14)18(19-3)20-10-9-17(23)21-16-7-5-4-6-8-16/h14-16H,4-13H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide has a molecular weight of 322.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide is sourced from PubChem (CID 111154151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).