N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

C12H24N2O4 — CID 174082941

IUPACN-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(C)(C)C)C(CO)C(O)C1O
InChIInChI=1S/C12H24N2O4/c1-7(16)13-8-5-14(12(2,3)4)9(6-15)11(18)10(8)17/h8-11,15,17-18H,5-6H2,1-4H3,(H,13,16)/t8-,9?,10?,11?/m1/s1
InChIKeyDEVLNWYNFGYBDR-XUHYKBHQSA-N
MW260.33 g/mol
LogP-1.31
Rot. Bonds2

About N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (PubChem CID 174082941) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
PubChem CID174082941
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(C)(C)C)C(CO)C(O)C1O
InChIInChI=1S/C12H24N2O4/c1-7(16)13-8-5-14(12(2,3)4)9(6-15)11(18)10(8)17/h8-11,15,17-18H,5-6H2,1-4H3,(H,13,16)/t8-,9?,10?,11?/m1/s1
InChIKeyDEVLNWYNFGYBDR-XUHYKBHQSA-N
XLogP-1.31
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 130313759
N-[(3S,4S,5R,6R)-1-(butylcarbamothioyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 134148690
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 21304144
N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 59316678
N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
N-[(3S,4R,5R,6S)-1-butyl-4,5,6-trihydroxyazepan-3-yl]acetamide
CID 73212977
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 90005133
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
(2R,3R,4R)-1-tert-butyl-2-(hydroxymethyl)-4-methoxypiperidin-3-ol;bis(yttrium)
CID 172518109

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (CID 174082941) is N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(C)(C)C)C(CO)C(O)C1O.
What is the InChIKey of N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The InChIKey is DEVLNWYNFGYBDR-XUHYKBHQSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-7(16)13-8-5-14(12(2,3)4)9(6-15)11(18)10(8)17/h8-11,15,17-18H,5-6H2,1-4H3,(H,13,16)/t8-,9?,10?,11?/m1/s1.
What are the key properties of N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide has a molecular weight of 260.33 g/mol, XLogP of -1.31, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 174082941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).