[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

C18H22N6O2 — CID 95108089

IUPAC[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC[C@@H](Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C18H22N6O2/c25-18(15-11-19-5-6-20-15)24-9-4-14(12-24)26-17-10-16(21-13-22-17)23-7-2-1-3-8-23/h5-6,10-11,13-14H,1-4,7-9,12H2/t14-/m1/s1
InChIKeyUIJBNCUTTZUJOI-CQSZACIVSA-N
MW354.41 g/mol
LogP1.55
Rot. Bonds4

About [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95108089) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95108089
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC[C@@H](Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C18H22N6O2/c25-18(15-11-19-5-6-20-15)24-9-4-14(12-24)26-17-10-16(21-13-22-17)23-7-2-1-3-8-23/h5-6,10-11,13-14H,1-4,7-9,12H2/t14-/m1/s1
InChIKeyUIJBNCUTTZUJOI-CQSZACIVSA-N
XLogP1.55
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 95108044
[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 71836800
(6-methyl-3-pyridinyl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185855
(1-ethylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185864
pyrazin-2-yl-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129472960
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 53185867
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108110
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 95108089) is [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CC[C@@H](Oc2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UIJBNCUTTZUJOI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-18(15-11-19-5-6-20-15)24-9-4-14(12-24)26-17-10-16(21-13-22-17)23-7-2-1-3-8-23/h5-6,10-11,13-14H,1-4,7-9,12H2/t14-/m1/s1.
What are the key properties of [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 354.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95108089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).