[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone

C12H22N2O5 — CID 163919460

IUPAC[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)CC1
InChIInChI=1S/C12H22N2O5/c1-13-2-4-14(5-3-13)12(18)8-7-19-9(6-15)11(17)10(8)16/h8-11,15-17H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyQZDRSCGPPRXHGI-DBIOUOCHSA-N
MW274.32 g/mol
LogP-2.51
Rot. Bonds2

About [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone

[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 163919460) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID163919460
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)CC1
InChIInChI=1S/C12H22N2O5/c1-13-2-4-14(5-3-13)12(18)8-7-19-9(6-15)11(17)10(8)16/h8-11,15-17H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1
InChIKeyQZDRSCGPPRXHGI-DBIOUOCHSA-N
XLogP-2.51
TPSA93.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazine-1-carbothioamide
CID 54410292
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256881
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone
CID 129151320
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
5-(4-methylpiperazine-1-carbonyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazole-4-carboxylic acid
CID 11112170

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 163919460) is [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)CC1.
What is the InChIKey of [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QZDRSCGPPRXHGI-DBIOUOCHSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-13-2-4-14(5-3-13)12(18)8-7-19-9(6-15)11(17)10(8)16/h8-11,15-17H,2-7H2,1H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone?
[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of -2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 163919460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).