2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide

C19H23FN4O2 — CID 95822642

IUPAC2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1
InChIInChI=1S/C19H23FN4O2/c1-23(2)19(25)13-24-9-5-6-14(12-24)16-10-21-11-18(22-16)26-17-8-4-3-7-15(17)20/h3-4,7-8,10-11,14H,5-6,9,12-13H2,1-2H3/t14-/m0/s1
InChIKeyLYZXZXCBKYFAPJ-AWEZNQCLSA-N
MW358.42 g/mol
LogP2.68
Rot. Bonds5

About 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 95822642) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID95822642
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1
InChIInChI=1S/C19H23FN4O2/c1-23(2)19(25)13-24-9-5-6-14(12-24)16-10-21-11-18(22-16)26-17-8-4-3-7-15(17)20/h3-4,7-8,10-11,14H,5-6,9,12-13H2,1-2H3/t14-/m0/s1
InChIKeyLYZXZXCBKYFAPJ-AWEZNQCLSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823449
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
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
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110256498
[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
2-(2-fluorophenoxy)-6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
CID 95844073
2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 95823368

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 95822642) is 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1.
What is the InChIKey of 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is LYZXZXCBKYFAPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23(2)19(25)13-24-9-5-6-14(12-24)16-10-21-11-18(22-16)26-17-8-4-3-7-15(17)20/h3-4,7-8,10-11,14H,5-6,9,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95822642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).