6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide

C8H14F2N2O4 — CID 123609824

IUPAC6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1NC(C(F)F)C(O)C(O)C1O
InChIInChI=1S/C8H14F2N2O4/c1-11-8(16)3-5(14)6(15)4(13)2(12-3)7(9)10/h2-7,12-15H,1H3,(H,11,16)
InChIKeyBIHNBVBZMPAMSU-UHFFFAOYSA-N
MW240.21 g/mol
LogP-2.58
Rot. Bonds2

About 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide

6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide (PubChem CID 123609824) has the molecular formula C8H14F2N2O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
PubChem CID123609824
Molecular FormulaC8H14F2N2O4
Molecular Weight240.21 g/mol
Exact Mass240.09
IUPAC Name6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1NC(C(F)F)C(O)C(O)C1O
InChIInChI=1S/C8H14F2N2O4/c1-11-8(16)3-5(14)6(15)4(13)2(12-3)7(9)10/h2-7,12-15H,1H3,(H,11,16)
InChIKeyBIHNBVBZMPAMSU-UHFFFAOYSA-N
XLogP-2.58
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide
CID 123773182
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
CID 10488407
piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 68620739
(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide
CID 91283477
3-cyclopropyl-N-methylaziridine-2-carboxamide
CID 170982801
cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
CID 118178176
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide
CID 68719942
(1S,5R)-N-methyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 67591291
3-fluoro-N-methylcyclobutane-1-carboxamide
CID 144873088
N-methyl-2-(methylamino)cyclopropane-1-carboxamide
CID 134458689
(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 122644896

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide (CID 123609824) is 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide is CNC(=O)C1NC(C(F)F)C(O)C(O)C1O.
What is the InChIKey of 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
The InChIKey is BIHNBVBZMPAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O4/c1-11-8(16)3-5(14)6(15)4(13)2(12-3)7(9)10/h2-7,12-15H,1H3,(H,11,16).
What are the key properties of 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide has a molecular weight of 240.21 g/mol, XLogP of -2.58, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 123609824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).