3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide

C17H30IN3O3 — CID 158381785

IUPAC3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide
SMILESCC1CCCC(C)N1CC(=O)NCCC(=O)NCCCC(=O)CI
InChIInChI=1S/C17H30IN3O3/c1-13-5-3-6-14(2)21(13)12-17(24)20-10-8-16(23)19-9-4-7-15(22)11-18/h13-14H,3-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyIUTWDGJNKUYRIB-UHFFFAOYSA-N
MW451.35 g/mol
LogP1.66
Rot. Bonds10

About 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide

3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide (PubChem CID 158381785) has the molecular formula C17H30IN3O3 and a molecular weight of 451.35 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide
PubChem CID158381785
Molecular FormulaC17H30IN3O3
Molecular Weight451.35 g/mol
Exact Mass451.13
IUPAC Name3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide
SMILESCC1CCCC(C)N1CC(=O)NCCC(=O)NCCCC(=O)CI
InChIInChI=1S/C17H30IN3O3/c1-13-5-3-6-14(2)21(13)12-17(24)20-10-8-16(23)19-9-4-7-15(22)11-18/h13-14H,3-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyIUTWDGJNKUYRIB-UHFFFAOYSA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide 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

3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(4-oxohexyl)propanamide
CID 159541365
N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide
CID 70958043
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 104968240
(2,5-dihydroxypyrrol-1-yl) 6-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino]hexanoate
CID 123990635
3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide;hydrochloride
CID 176544879
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino](313C)propanoate
CID 121340841
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino](2,3-13C2)propanoyl(15N)amino](113C)propanoate
CID 86291041
2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetic acid
CID 59404491
5-deuterio-5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-deuterio-2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl]amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide;5-[[2,2-dideuterio-2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino]-N-(5-iodo-4-oxopentyl)-2-methyl-4-oxohexanamide;2-[[2-(2,6-dimethyl(115N)azinan-1-yl)acetyl](15N)amino]-N-[1-[(5-iodo-4-oxopentyl)amino]-1-oxopropan-2-yl]propan(15N)amide
CID 162190610
2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 59404509
N-hexyl-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
CID 110017014
benzyl 3-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetyl]amino]propanoate
CID 59404507

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide?
The IUPAC name of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide (CID 158381785) is 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide.
What is the SMILES notation for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide?
The canonical SMILES for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide is CC1CCCC(C)N1CC(=O)NCCC(=O)NCCCC(=O)CI.
What is the InChIKey of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide?
The InChIKey is IUTWDGJNKUYRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30IN3O3/c1-13-5-3-6-14(2)21(13)12-17(24)20-10-8-16(23)19-9-4-7-15(22)11-18/h13-14H,3-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide?
3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide has a molecular weight of 451.35 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-(5-iodo-4-oxopentyl)propanamide is sourced from PubChem (CID 158381785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).