N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol

C68H118N10O18 — CID 162255509

IUPACN-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol
SMILESCC[C@@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(COCC23CC4CC(CC(C4)C2)C3)nn1.CC[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(COCC23CC4CC(CC(C4)C2)C3)nn1.C[C@H]1[C@@H](CO)C[C@H](CO)[C@@H](O)[C@@H]1O.C[C@H]1[C@H](CO)C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/2C25H41N5O5.2C9H18O4/c2*1-3-20-22(26-15(2)32)24(34)23(33)21(12-31)30(20)11-19-10-29(28-27-19)14-35-13-25-7-16-4-17(8-25)6-18(5-16)9-25;2*1-5-6(3-10)2-7(4-11)9(13)8(5)12/h2*10,16-18,20-24,31,33-34H,3-9,11-14H2,1-2H3,(H,26,32);2*5-13H,2-4H2,1H3/t16?,17?,18?,20-,21+,22-,23+,24+,25?;16?,17?,18?,20-,21-,22+,23-,24-,25?;5-,6+,7+,8+,9+;5-,6-,7+,8+,9+/m0100/s1
InChIKeyZYNSEPHQTWMQQO-JSRKUPRNSA-N
MW1363.74 g/mol
LogP-0.77
Rot. Bonds22

About N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol

N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol (PubChem CID 162255509) has the molecular formula C68H118N10O18 and a molecular weight of 1363.74 g/mol. Its IUPAC name is N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol.

Molecular Properties

Compound NameN-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol
PubChem CID162255509
Molecular FormulaC68H118N10O18
Molecular Weight1363.74 g/mol
Exact Mass1362.86
IUPAC NameN-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol
SMILESCC[C@@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(COCC23CC4CC(CC(C4)C2)C3)nn1.CC[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(COCC23CC4CC(CC(C4)C2)C3)nn1.C[C@H]1[C@@H](CO)C[C@H](CO)[C@@H](O)[C@@H]1O.C[C@H]1[C@H](CO)C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/2C25H41N5O5.2C9H18O4/c2*1-3-20-22(26-15(2)32)24(34)23(33)21(12-31)30(20)11-19-10-29(28-27-19)14-35-13-25-7-16-4-17(8-25)6-18(5-16)9-25;2*1-5-6(3-10)2-7(4-11)9(13)8(5)12/h2*10,16-18,20-24,31,33-34H,3-9,11-14H2,1-2H3,(H,26,32);2*5-13H,2-4H2,1H3/t16?,17?,18?,20-,21+,22-,23+,24+,25?;16?,17?,18?,20-,21-,22+,23-,24-,25?;5-,6+,7+,8+,9+;5-,6-,7+,8+,9+/m0100/s1
InChIKeyZYNSEPHQTWMQQO-JSRKUPRNSA-N
XLogP-0.77
TPSA427.78 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.74
LogP ≤ 5-0.77
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Analyze N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol with MolForge

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Related Compounds

N-[(2S,3S,4R,5R,6R)-1-[2-[4-(1-adamantylmethoxymethyl)triazol-1-yl]ethyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2R,3S,4R,5R,6R)-1-[2-[4-(1-adamantylmethoxymethyl)triazol-1-yl]ethyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 160578478
N-[(2S,3S,4R,5R,6R)-1-[2-[1-(1-adamantylmethyl)triazol-4-yl]ethyl]-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2R,3S,4R,5R,6R)-1-[2-[1-(1-adamantylmethyl)triazol-4-yl]ethyl]-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
CID 160928273
(2R,3S,4R,5S)-1-[4-[4-(1-adamantylmethoxymethyl)triazol-1-yl]butyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 71747688
(2R,3R,4R,5S)-1-[10-[4-(1-adamantylmethoxymethyl)triazol-1-yl]decyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 54589897
N-[(1S,2R,3S,4R,6S)-2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 101009658
(2R,3S,4S,5S)-N-[5-(1-adamantylmethoxy)pentyl]-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 71484733
(2S,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 71485656
N-[(2S,3R,4R,5S,6R)-2-[2-[4-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 71467188
(2S,3S,4S,5S)-N,1-bis[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 71486193
(2S,3S,4R,5R,6R)-1,2-bis[5-(1-adamantylmethoxy)pentyl]-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 45378462
(2R,3R,4R,5S)-1-[2-[1-(1-adamantylmethyl)triazol-4-yl]ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 54589811
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxan-3-yl]acetamide
CID 118248899

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol?
The IUPAC name of N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol (CID 162255509) is N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol.
What is the SMILES notation for N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol?
The canonical SMILES for N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol is CC[C@@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(COCC23CC4CC(CC(C4)C2)C3)nn1.CC[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(COCC23CC4CC(CC(C4)C2)C3)nn1.C[C@H]1[C@@H](CO)C[C@H](CO)[C@@H](O)[C@@H]1O.C[C@H]1[C@H](CO)C[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol?
The InChIKey is ZYNSEPHQTWMQQO-JSRKUPRNSA-N. The full InChI is InChI=1S/2C25H41N5O5.2C9H18O4/c2*1-3-20-22(26-15(2)32)24(34)23(33)21(12-31)30(20)11-19-10-29(28-27-19)14-35-13-25-7-16-4-17(8-25)6-18(5-16)9-25;2*1-5-6(3-10)2-7(4-11)9(13)8(5)12/h2*10,16-18,20-24,31,33-34H,3-9,11-14H2,1-2H3,(H,26,32);2*5-13H,2-4H2,1H3/t16?,17?,18?,20-,21+,22-,23+,24+,25?;16?,17?,18?,20-,21-,22+,23-,24-,25?;5-,6+,7+,8+,9+;5-,6-,7+,8+,9+/m0100/s1.
What are the key properties of N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol?
N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol has a molecular weight of 1363.74 g/mol, XLogP of -0.77, 22 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;N-[(2S,3S,4R,5R,6R)-1-[[1-(1-adamantylmethoxymethyl)triazol-4-yl]methyl]-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide;(1R,2R,3S,4R,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol;(1R,2R,3S,4S,6R)-4,6-bis(hydroxymethyl)-3-methylcyclohexane-1,2-diol is sourced from PubChem (CID 162255509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).