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

C8H13F3N2O3 — CID 123773182

IUPAC6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1NC(C(F)F)C(O)C(O)C1F
InChIInChI=1S/C8H13F3N2O3/c1-12-8(16)3-2(9)5(14)6(15)4(13-3)7(10)11/h2-7,13-15H,1H3,(H,12,16)
InChIKeyHRXZVTWVIUKLAK-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.60
Rot. Bonds2

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

6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide (PubChem CID 123773182) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide
PubChem CID123773182
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1NC(C(F)F)C(O)C(O)C1F
InChIInChI=1S/C8H13F3N2O3/c1-12-8(16)3-2(9)5(14)6(15)4(13-3)7(10)11/h2-7,13-15H,1H3,(H,12,16)
InChIKeyHRXZVTWVIUKLAK-UHFFFAOYSA-N
XLogP-1.60
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
CID 123609824
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
CID 10488407
3-cyclopropyl-N-methylaziridine-2-carboxamide
CID 170982801
piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 68620739
cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
CID 118178176
(2S,3S,4S,5S)-4-fluoro-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 56653751
(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide
CID 91283477
3-fluoro-N-methylcyclobutane-1-carboxamide
CID 144873088
(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
CID 73352744
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
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103195835

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide (CID 123773182) is 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide is CNC(=O)C1NC(C(F)F)C(O)C(O)C1F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
The InChIKey is HRXZVTWVIUKLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-12-8(16)3-2(9)5(14)6(15)4(13-3)7(10)11/h2-7,13-15H,1H3,(H,12,16).
What are the key properties of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide has a molecular weight of 242.20 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 123773182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).