1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C17H26N4O — CID 95824949

IUPAC1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cncc(N3CCC(C)CC3)n2)C1
InChIInChI=1S/C17H26N4O/c1-13-5-8-20(9-6-13)17-11-18-10-16(19-17)15-4-3-7-21(12-15)14(2)22/h10-11,13,15H,3-9,12H2,1-2H3/t15-/m0/s1
InChIKeyMFYPYHFGSOQVKY-HNNXBMFYSA-N
MW302.42 g/mol
LogP2.44
Rot. Bonds2

About 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95824949) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95824949
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cncc(N3CCC(C)CC3)n2)C1
InChIInChI=1S/C17H26N4O/c1-13-5-8-20(9-6-13)17-11-18-10-16(19-17)15-4-3-7-21(12-15)14(2)22/h10-11,13,15H,3-9,12H2,1-2H3/t15-/m0/s1
InChIKeyMFYPYHFGSOQVKY-HNNXBMFYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95826460
1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252898
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124971110
2-(4-methylpiperidin-1-yl)-6-pyrrolidin-2-ylpyrazine
CID 110271302
1-[4-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824950
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
cyclopentyl-[3-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110253502
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 133283095
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110099044

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95824949) is 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2cncc(N3CCC(C)CC3)n2)C1.
What is the InChIKey of 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is MFYPYHFGSOQVKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-5-8-20(9-6-13)17-11-18-10-16(19-17)15-4-3-7-21(12-15)14(2)22/h10-11,13,15H,3-9,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95824949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).