[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone

C11H16N4O — CID 94475780

IUPAC[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C11H16N4O/c1-12-9-3-2-6-15(8-9)11(16)10-7-13-4-5-14-10/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyUQQAQNOGCVBEMU-SECBINFHSA-N
MW220.28 g/mol
LogP0.30
Rot. Bonds2

About [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone

[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 94475780) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID94475780
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C11H16N4O/c1-12-9-3-2-6-15(8-9)11(16)10-7-13-4-5-14-10/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyUQQAQNOGCVBEMU-SECBINFHSA-N
XLogP0.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125018357
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 94475780) is [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone is CN[C@@H]1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UQQAQNOGCVBEMU-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O/c1-12-9-3-2-6-15(8-9)11(16)10-7-13-4-5-14-10/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 220.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 94475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).