N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide

C24H47N3O5 — CID 166830221

IUPACN-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide
SMILESO=C(CCCCCCCNC(=O)CCOCCN1CCCCC1)NCCCCC(O)CO
InChIInChI=1S/C24H47N3O5/c28-21-22(29)11-6-8-15-25-23(30)12-5-2-1-3-7-14-26-24(31)13-19-32-20-18-27-16-9-4-10-17-27/h22,28-29H,1-21H2,(H,25,30)(H,26,31)
InChIKeyOZUSBMUHAWNDEQ-UHFFFAOYSA-N
MW457.66 g/mol
LogP1.98
Rot. Bonds20

About N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide

N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide (PubChem CID 166830221) has the molecular formula C24H47N3O5 and a molecular weight of 457.66 g/mol. Its IUPAC name is N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide.

Molecular Properties

Compound NameN-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide
PubChem CID166830221
Molecular FormulaC24H47N3O5
Molecular Weight457.66 g/mol
Exact Mass457.35
IUPAC NameN-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide
SMILESO=C(CCCCCCCNC(=O)CCOCCN1CCCCC1)NCCCCC(O)CO
InChIInChI=1S/C24H47N3O5/c28-21-22(29)11-6-8-15-25-23(30)12-5-2-1-3-7-14-26-24(31)13-19-32-20-18-27-16-9-4-10-17-27/h22,28-29H,1-21H2,(H,25,30)(H,26,31)
InChIKeyOZUSBMUHAWNDEQ-UHFFFAOYSA-N
XLogP1.98
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.66
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide with MolForge

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Related Compounds

N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide
CID 166830249
N-(5,6-dihydroxyhexyl)-N-(2-hydroxyethyl)-8-(6-piperidin-1-ylhexanoylamino)octanamide
CID 166830240
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107
N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
CID 113340869
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
N-[2-(3-methylbutoxy)ethyl]-18-[4-(3-methylbutyl)piperazin-1-yl]-14-oxooctadecanamide
CID 159006304
2-methoxy-N-(4-piperidin-1-ylbutyl)acetamide
CID 110443559

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide?
The IUPAC name of N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide (CID 166830221) is N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide.
What is the SMILES notation for N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide?
The canonical SMILES for N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide is O=C(CCCCCCCNC(=O)CCOCCN1CCCCC1)NCCCCC(O)CO.
What is the InChIKey of N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide?
The InChIKey is OZUSBMUHAWNDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O5/c28-21-22(29)11-6-8-15-25-23(30)12-5-2-1-3-7-14-26-24(31)13-19-32-20-18-27-16-9-4-10-17-27/h22,28-29H,1-21H2,(H,25,30)(H,26,31).
What are the key properties of N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide?
N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide has a molecular weight of 457.66 g/mol, XLogP of 1.98, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide is sourced from PubChem (CID 166830221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).