N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide

C18H22N4O2 — CID 124972275

IUPACN-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C18H22N4O2/c1-19-17(23)13-22-9-5-6-14(12-22)16-10-20-11-18(21-16)24-15-7-3-2-4-8-15/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyKBYYITNNBULYKU-CQSZACIVSA-N
MW326.40 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide

N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide (PubChem CID 124972275) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
PubChem CID124972275
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C18H22N4O2/c1-19-17(23)13-22-9-5-6-14(12-22)16-10-20-11-18(21-16)24-15-7-3-2-4-8-15/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyKBYYITNNBULYKU-CQSZACIVSA-N
XLogP2.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95822642
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583
N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110148762
2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 110256162
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide (CID 124972275) is N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide is CNC(=O)CN1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide?
The InChIKey is KBYYITNNBULYKU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-19-17(23)13-22-9-5-6-14(12-22)16-10-20-11-18(21-16)24-15-7-3-2-4-8-15/h2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide?
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 124972275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).