piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide

C13H27N3O5 — CID 68620739

IUPACpiperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
SMILESC1CCNCC1.CNC(=O)C1NC(CO)C(O)C(O)C1O
InChIInChI=1S/C8H16N2O5.C5H11N/c1-9-8(15)4-6(13)7(14)5(12)3(2-11)10-4;1-2-4-6-5-3-1/h3-7,10-14H,2H2,1H3,(H,9,15);6H,1-5H2
InChIKeyUARRYMQGDMKMIQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP-3.09
Rot. Bonds2

About piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide

piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide (PubChem CID 68620739) has the molecular formula C13H27N3O5 and a molecular weight of 305.38 g/mol. Its IUPAC name is piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Namepiperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
PubChem CID68620739
Molecular FormulaC13H27N3O5
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Namepiperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
SMILESC1CCNCC1.CNC(=O)C1NC(CO)C(O)C(O)C1O
InChIInChI=1S/C8H16N2O5.C5H11N/c1-9-8(15)4-6(13)7(14)5(12)3(2-11)10-4;1-2-4-6-5-3-1/h3-7,10-14H,2H2,1H3,(H,9,15);6H,1-5H2
InChIKeyUARRYMQGDMKMIQ-UHFFFAOYSA-N
XLogP-3.09
TPSA134.08 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 5-3.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

(8R,9S,10S,11R)-2,9,10,11-tetrahydroxy-8-(hydroxymethyl)-7-oxa-1,4-diazaspiro[5.5]undecan-5-one
CID 46228147
(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 73335748
(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 90043826
(2R,3S,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 90064470
(2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
CID 90064534
(2S,3R,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 90064556
(2S,3R,4R,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 90064599
(2S,3R,4R,5R,6S)-6-(fluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
CID 90064703
(2R,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 90064707
(2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 118461037
(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 118461049
6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
CID 123609824

Frequently Asked Questions

What is the IUPAC name of piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide (CID 68620739) is piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide is C1CCNCC1.CNC(=O)C1NC(CO)C(O)C(O)C1O.
What is the InChIKey of piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is UARRYMQGDMKMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5.C5H11N/c1-9-8(15)4-6(13)7(14)5(12)3(2-11)10-4;1-2-4-6-5-3-1/h3-7,10-14H,2H2,1H3,(H,9,15);6H,1-5H2.
What are the key properties of piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -3.09, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 68620739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).