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

C8H14F2N2O4 — CID 90064534

IUPAC(2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1N[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@H]1O
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)/t2-,3-,4+,5+,6-/m0/s1
InChIKeyBIHNBVBZMPAMSU-YJRYQGEOSA-N
MW240.21 g/mol
LogP-2.58
Rot. Bonds2

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

(2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide (PubChem CID 90064534) has the molecular formula C8H14F2N2O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
PubChem CID90064534
Molecular FormulaC8H14F2N2O4
Molecular Weight240.21 g/mol
Exact Mass240.09
IUPAC Name(2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1N[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@H]1O
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)/t2-,3-,4+,5+,6-/m0/s1
InChIKeyBIHNBVBZMPAMSU-YJRYQGEOSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide (CID 90064534) is (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide is CNC(=O)[C@H]1N[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
The InChIKey is BIHNBVBZMPAMSU-YJRYQGEOSA-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)/t2-,3-,4+,5+,6-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide?
(2S,3R,4R,5R,6S)-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 (2S,3R,4R,5R,6S)-6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 90064534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).