N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide

C13H26N2O3 — CID 73387339

IUPACN-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide
SMILESCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](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)/t11-,12+,13+/m0/s1
InChIKeyDKNPNBMKGGMCMM-YNEHKIRRSA-N
MW258.36 g/mol
LogP0.11
Rot. Bonds6

About N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide

N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide (PubChem CID 73387339) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide
PubChem CID73387339
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide
SMILESCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](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)/t11-,12+,13+/m0/s1
InChIKeyDKNPNBMKGGMCMM-YNEHKIRRSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide (CID 73387339) is N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide is CCCCCCN1C[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C1.
What is the InChIKey of N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide?
The InChIKey is DKNPNBMKGGMCMM-YNEHKIRRSA-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)/t11-,12+,13+/m0/s1.
What are the key properties of N-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide?
N-[(3S,4R,5R)-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-[(3S,4R,5R)-1-hexyl-4,5-dihydroxypiperidin-3-yl]acetamide is sourced from PubChem (CID 73387339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).