N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

C12H24N2O4 — CID 22867730

IUPACN-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCCCCC1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C12H24N2O4/c1-3-4-5-8-10(13-7(2)16)12(18)11(17)9(6-15)14-8/h8-12,14-15,17-18H,3-6H2,1-2H3,(H,13,16)/t8?,9-,10+,11-,12-/m1/s1
InChIKeyMHGCAGZQVCNPCI-UPUXHGCUSA-N
MW260.33 g/mol
LogP-1.26
Rot. Bonds5

About N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (PubChem CID 22867730) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
PubChem CID22867730
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCCCCC1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C12H24N2O4/c1-3-4-5-8-10(13-7(2)16)12(18)11(17)9(6-15)14-8/h8-12,14-15,17-18H,3-6H2,1-2H3,(H,13,16)/t8?,9-,10+,11-,12-/m1/s1
InChIKeyMHGCAGZQVCNPCI-UPUXHGCUSA-N
XLogP-1.26
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol
CID 53316565
methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
CID 71226736
N-[2-butoxy-5-hydroxy-6-(hydroxymethyl)-4-methylpiperidin-3-yl]acetamide
CID 90799473
N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181193
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
dimethyl (2R,6R)-2,6-dibutyl-4-hydroxypiperidine-3,5-dicarboxylate
CID 24773540
(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
CID 71485924
N-[2-(butylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 167176103
(2R,3S,4R,5R,6R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 161473437
(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-(hydroxymethyl)piperidine-2-carboxylic acid
CID 14805115
N-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 10125697
N-[2-hexylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123420541

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (CID 22867730) is N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is CCCCC1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The InChIKey is MHGCAGZQVCNPCI-UPUXHGCUSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-4-5-8-10(13-7(2)16)12(18)11(17)9(6-15)14-8/h8-12,14-15,17-18H,3-6H2,1-2H3,(H,13,16)/t8?,9-,10+,11-,12-/m1/s1.
What are the key properties of N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide has a molecular weight of 260.33 g/mol, XLogP of -1.26, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 22867730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).