[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

C10H14F2N4O2 — CID 129260774

IUPAC[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2n[nH]c(C)n2)CC1(F)F
InChIInChI=1S/C10H14F2N4O2/c1-6-13-8(15-14-6)9(17)16-4-3-7(18-2)10(11,12)5-16/h7H,3-5H2,1-2H3,(H,13,14,15)/t7-/m0/s1
InChIKeyRAMIROGIHUTUDF-ZETCQYMHSA-N
MW260.24 g/mol
LogP0.61
Rot. Bonds2

About [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 129260774) has the molecular formula C10H14F2N4O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID129260774
Molecular FormulaC10H14F2N4O2
Molecular Weight260.24 g/mol
Exact Mass260.11
IUPAC Name[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2n[nH]c(C)n2)CC1(F)F
InChIInChI=1S/C10H14F2N4O2/c1-6-13-8(15-14-6)9(17)16-4-3-7(18-2)10(11,12)5-16/h7H,3-5H2,1-2H3,(H,13,14,15)/t7-/m0/s1
InChIKeyRAMIROGIHUTUDF-ZETCQYMHSA-N
XLogP0.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (CID 129260774) is [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is CO[C@H]1CCN(C(=O)c2n[nH]c(C)n2)CC1(F)F.
What is the InChIKey of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is RAMIROGIHUTUDF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F2N4O2/c1-6-13-8(15-14-6)9(17)16-4-3-7(18-2)10(11,12)5-16/h7H,3-5H2,1-2H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 260.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 129260774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).