N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide

C13H26N2O4 — CID 90799473

IUPACN-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide
SMILESCCCCOC1NC(CO)C(O)C(C)C1NC(C)=O
InChIInChI=1S/C13H26N2O4/c1-4-5-6-19-13-11(14-9(3)17)8(2)12(18)10(7-16)15-13/h8,10-13,15-16,18H,4-7H2,1-3H3,(H,14,17)
InChIKeyKLLLTKRXSKMSJJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.41
Rot. Bonds6

About N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide

N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide (PubChem CID 90799473) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide
PubChem CID90799473
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide
SMILESCCCCOC1NC(CO)C(O)C(C)C1NC(C)=O
InChIInChI=1S/C13H26N2O4/c1-4-5-6-19-13-11(14-9(3)17)8(2)12(18)10(7-16)15-13/h8,10-13,15-16,18H,4-7H2,1-3H3,(H,14,17)
InChIKeyKLLLTKRXSKMSJJ-UHFFFAOYSA-N
XLogP-0.41
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 22867730
N-[2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)-8-oxabicyclo[5.1.0]octan-3-yl]acetamide
CID 163850772
methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
CID 71226736
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxyoxan-3-yl]acetamide
CID 7155080
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-octadecoxyoxan-3-yl]acetamide
CID 22465082
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]acetamide
CID 125463198
N-[(2R,3S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-2-octoxy-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 124914572
N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181193
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
CID 102010240
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664
N-[4-hydroxy-6-(hydroxymethyl)-2-octoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 163304490
N-[(3S,4R,5S,6R)-4,5-dibutoxy-6-(butoxymethyl)-2-hydroxyoxan-3-yl]acetamide
CID 54765523

Frequently Asked Questions

What is the IUPAC name of N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide?
The IUPAC name of N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide (CID 90799473) is N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide is CCCCOC1NC(CO)C(O)C(C)C1NC(C)=O.
What is the InChIKey of N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide?
The InChIKey is KLLLTKRXSKMSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-5-6-19-13-11(14-9(3)17)8(2)12(18)10(7-16)15-13/h8,10-13,15-16,18H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide?
N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide has a molecular weight of 274.36 g/mol, XLogP of -0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 90799473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).