N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide

C13H26N2O3 — CID 90002769

IUPACN-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide
SMILESCCCCCCN1CC(O)C(O)C(NC(C)=O)C1
InChIInChI=1S/C13H26N2O3/c1-3-4-5-6-7-15-8-11(14-10(2)16)13(18)12(17)9-15/h11-13,17-18H,3-9H2,1-2H3,(H,14,16)
InChIKeyDKNPNBMKGGMCMM-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.11
Rot. Bonds6

About N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide

N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide (PubChem CID 90002769) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide
PubChem CID90002769
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide
SMILESCCCCCCN1CC(O)C(O)C(NC(C)=O)C1
InChIInChI=1S/C13H26N2O3/c1-3-4-5-6-7-15-8-11(14-10(2)16)13(18)12(17)9-15/h11-13,17-18H,3-9H2,1-2H3,(H,14,16)
InChIKeyDKNPNBMKGGMCMM-UHFFFAOYSA-N
XLogP0.11
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide
CID 73387339
N-[(3S,4R,5R)-4,5-dihydroxy-1-nonylpiperidin-3-yl]acetamide
CID 67341601
N-[(3S,4R,5R,6S)-1-butyl-4,5,6-trihydroxyazepan-3-yl]acetamide
CID 73212977
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
1-pentylpiperidine-3,4-diol
CID 69410100
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
1-decylpiperidine;methanesulfonic acid
CID 175874627
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902

Frequently Asked Questions

What is the IUPAC name of N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide?
The IUPAC name of N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide (CID 90002769) is N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide.
What is the SMILES notation for N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide?
The canonical SMILES for N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide is CCCCCCN1CC(O)C(O)C(NC(C)=O)C1.
What is the InChIKey of N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide?
The InChIKey is DKNPNBMKGGMCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-4-5-6-7-15-8-11(14-10(2)16)13(18)12(17)9-15/h11-13,17-18H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide?
N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-4,5-dihydroxypiperidin-3-yl)acetamide is sourced from PubChem (CID 90002769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).