[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C22H27FN4O2 — CID 95823449

IUPAC[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4F)n3)C2)CC1
InChIInChI=1S/C22H27FN4O2/c1-26-11-8-16(9-12-26)22(28)27-10-4-5-17(15-27)19-13-24-14-21(25-19)29-20-7-3-2-6-18(20)23/h2-3,6-7,13-14,16-17H,4-5,8-12,15H2,1H3/t17-/m1/s1
InChIKeyXSXQSASLUBZHTD-QGZVFWFLSA-N
MW398.48 g/mol
LogP3.46
Rot. Bonds4

About [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 95823449) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID95823449
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4F)n3)C2)CC1
InChIInChI=1S/C22H27FN4O2/c1-26-11-8-16(9-12-26)22(28)27-10-4-5-17(15-27)19-13-24-14-21(25-19)29-20-7-3-2-6-18(20)23/h2-3,6-7,13-14,16-17H,4-5,8-12,15H2,1H3/t17-/m1/s1
InChIKeyXSXQSASLUBZHTD-QGZVFWFLSA-N
XLogP3.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95822642
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091
[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110256498
2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 132773164

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 95823449) is [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4F)n3)C2)CC1.
What is the InChIKey of [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is XSXQSASLUBZHTD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-26-11-8-16(9-12-26)22(28)27-10-4-5-17(15-27)19-13-24-14-21(25-19)29-20-7-3-2-6-18(20)23/h2-3,6-7,13-14,16-17H,4-5,8-12,15H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 398.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 95823449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).