[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone

C18H19F2N3O — CID 42298601

IUPAC[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H19F2N3O/c19-15-6-5-13(10-16(15)20)3-4-14-2-1-9-23(12-14)18(24)17-11-21-7-8-22-17/h5-8,10-11,14H,1-4,9,12H2/t14-/m0/s1
InChIKeyBSYJNVUZJDYFEH-AWEZNQCLSA-N
MW331.37 g/mol
LogP3.24
Rot. Bonds4

About [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone

[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 42298601) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID42298601
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H19F2N3O/c19-15-6-5-13(10-16(15)20)3-4-14-2-1-9-23(12-14)18(24)17-11-21-7-8-22-17/h5-8,10-11,14H,1-4,9,12H2/t14-/m0/s1
InChIKeyBSYJNVUZJDYFEH-AWEZNQCLSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 95553493
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25455738
[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone
CID 42191853
5-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95476499
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
5-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 95502942
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 95545441

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 42298601) is [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1.
What is the InChIKey of [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is BSYJNVUZJDYFEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-15-6-5-13(10-16(15)20)3-4-14-2-1-9-23(12-14)18(24)17-11-21-7-8-22-17/h5-8,10-11,14H,1-4,9,12H2/t14-/m0/s1.
What are the key properties of [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 331.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 42298601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).