[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C17H23N7O — CID 100840629

IUPAC[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C17H23N7O/c25-17(23-8-2-4-15(11-23)24-13-19-12-21-24)14-3-1-7-22(10-14)16-9-18-5-6-20-16/h5-6,9,12-15H,1-4,7-8,10-11H2/t14-,15-/m1/s1
InChIKeyOMAFXGZNYJGTQG-HUUCEWRRSA-N
MW341.42 g/mol
LogP1.15
Rot. Bonds3

About [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 100840629) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID100840629
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C17H23N7O/c25-17(23-8-2-4-15(11-23)24-13-19-12-21-24)14-3-1-7-22(10-14)16-9-18-5-6-20-16/h5-6,9,12-15H,1-4,7-8,10-11H2/t14-,15-/m1/s1
InChIKeyOMAFXGZNYJGTQG-HUUCEWRRSA-N
XLogP1.15
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840655
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272185
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95736503
[(3R)-1,1-dioxothiolan-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761323
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736478
(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736480
piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600945
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 100871021
[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100837164

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 100840629) is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H](n2cncn2)C1.
What is the InChIKey of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is OMAFXGZNYJGTQG-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N7O/c25-17(23-8-2-4-15(11-23)24-13-19-12-21-24)14-3-1-7-22(10-14)16-9-18-5-6-20-16/h5-6,9,12-15H,1-4,7-8,10-11H2/t14-,15-/m1/s1.
What are the key properties of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 341.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100840629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).