[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C19H21F2N3O — CID 25299156

IUPAC[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1
InChIInChI=1S/C19H21F2N3O/c1-13-10-23-18(11-22-13)19(25)24-9-3-4-14(12-24)7-8-15-16(20)5-2-6-17(15)21/h2,5-6,10-11,14H,3-4,7-9,12H2,1H3/t14-/m0/s1
InChIKeyQHNDVGPRIVRVBA-AWEZNQCLSA-N
MW345.39 g/mol
LogP3.55
Rot. Bonds4

About [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 25299156) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID25299156
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1
InChIInChI=1S/C19H21F2N3O/c1-13-10-23-18(11-22-13)19(25)24-9-3-4-14(12-24)7-8-15-16(20)5-2-6-17(15)21/h2,5-6,10-11,14H,3-4,7-9,12H2,1H3/t14-/m0/s1
InChIKeyQHNDVGPRIVRVBA-AWEZNQCLSA-N
XLogP3.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42558084
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 26394219
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 42564796
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56874856
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56919166
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
1-[5-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 26396263
2-[2-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 56865461

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 25299156) is [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1.
What is the InChIKey of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is QHNDVGPRIVRVBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-13-10-23-18(11-22-13)19(25)24-9-3-4-14(12-24)7-8-15-16(20)5-2-6-17(15)21/h2,5-6,10-11,14H,3-4,7-9,12H2,1H3/t14-/m0/s1.
What are the key properties of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 345.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 25299156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).