2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide

C18H21FN4O2 — CID 125006836

IUPAC2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c1-20-16(24)12-23-10-2-3-13(11-23)17-18(22-9-8-21-17)25-15-6-4-14(19)5-7-15/h4-9,13H,2-3,10-12H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyUJBLSQJMXMQCGR-CYBMUJFWSA-N
MW344.39 g/mol
LogP2.33
Rot. Bonds5

About 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide

2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide (PubChem CID 125006836) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID125006836
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4O2/c1-20-16(24)12-23-10-2-3-13(11-23)17-18(22-9-8-21-17)25-15-6-4-14(19)5-7-15/h4-9,13H,2-3,10-12H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyUJBLSQJMXMQCGR-CYBMUJFWSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine
CID 110256303
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072
N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
CID 110256263
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451
1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 175657135
[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 132772994
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 129454307
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide (CID 125006836) is 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1.
What is the InChIKey of 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is UJBLSQJMXMQCGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-20-16(24)12-23-10-2-3-13(11-23)17-18(22-9-8-21-17)25-15-6-4-14(19)5-7-15/h4-9,13H,2-3,10-12H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide?
2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 344.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 125006836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).