N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide

C26H51N3O4 — CID 166830249

IUPACN-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide
SMILESCC(CCC(=O)NCCCCCCCC(=O)NCCCCC(O)CO)CCN1CCCCC1
InChIInChI=1S/C26H51N3O4/c1-23(16-21-29-19-10-5-11-20-29)14-15-26(33)28-17-8-4-2-3-6-13-25(32)27-18-9-7-12-24(31)22-30/h23-24,30-31H,2-22H2,1H3,(H,27,32)(H,28,33)
InChIKeyXKWUJWZOWPMFGH-UHFFFAOYSA-N
MW469.71 g/mol
LogP3.38
Rot. Bonds20

About N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide

N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide (PubChem CID 166830249) has the molecular formula C26H51N3O4 and a molecular weight of 469.71 g/mol. Its IUPAC name is N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide.

Molecular Properties

Compound NameN-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide
PubChem CID166830249
Molecular FormulaC26H51N3O4
Molecular Weight469.71 g/mol
Exact Mass469.39
IUPAC NameN-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide
SMILESCC(CCC(=O)NCCCCCCCC(=O)NCCCCC(O)CO)CCN1CCCCC1
InChIInChI=1S/C26H51N3O4/c1-23(16-21-29-19-10-5-11-20-29)14-15-26(33)28-17-8-4-2-3-6-13-25(32)27-18-9-7-12-24(31)22-30/h23-24,30-31H,2-22H2,1H3,(H,27,32)(H,28,33)
InChIKeyXKWUJWZOWPMFGH-UHFFFAOYSA-N
XLogP3.38
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.71
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide with MolForge

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Related Compounds

N-(5,6-dihydroxyhexyl)-8-[3-(2-piperidin-1-ylethoxy)propanoylamino]octanamide
CID 166830221
N-(5,6-dihydroxyhexyl)-N-(2-hydroxyethyl)-8-(6-piperidin-1-ylhexanoylamino)octanamide
CID 166830240
N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
CID 113340869
5-methyl-N-octyl-6-piperidin-1-ylhexanamide
CID 166830239
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide?
The IUPAC name of N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide (CID 166830249) is N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide.
What is the SMILES notation for N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide?
The canonical SMILES for N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide is CC(CCC(=O)NCCCCCCCC(=O)NCCCCC(O)CO)CCN1CCCCC1.
What is the InChIKey of N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide?
The InChIKey is XKWUJWZOWPMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N3O4/c1-23(16-21-29-19-10-5-11-20-29)14-15-26(33)28-17-8-4-2-3-6-13-25(32)27-18-9-7-12-24(31)22-30/h23-24,30-31H,2-22H2,1H3,(H,27,32)(H,28,33).
What are the key properties of N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide?
N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide has a molecular weight of 469.71 g/mol, XLogP of 3.38, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroxyhexyl)-8-[(4-methyl-6-piperidin-1-ylhexanoyl)amino]octanamide is sourced from PubChem (CID 166830249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).