[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

C19H21N3O3 — CID 100647150

IUPAC[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESO=C([C@H]1Cc2ccccc2CO1)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C19H21N3O3/c23-19(17-10-14-4-1-2-5-15(14)13-24-17)22-9-3-6-16(12-22)25-18-11-20-7-8-21-18/h1-2,4-5,7-8,11,16-17H,3,6,9-10,12-13H2/t16-,17+/m0/s1
InChIKeyGZBBISIRVJWRMT-DLBZAZTESA-N
MW339.39 g/mol
LogP1.99
Rot. Bonds3

About [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone

[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (PubChem CID 100647150) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
PubChem CID100647150
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
SMILESO=C([C@H]1Cc2ccccc2CO1)N1CCC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C19H21N3O3/c23-19(17-10-14-4-1-2-5-15(14)13-24-17)22-9-3-6-16(12-22)25-18-11-20-7-8-21-18/h1-2,4-5,7-8,11,16-17H,3,6,9-10,12-13H2/t16-,17+/m0/s1
InChIKeyGZBBISIRVJWRMT-DLBZAZTESA-N
XLogP1.99
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-1H-isochromen-3-yl-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260487
3,4-dihydro-1H-isochromen-3-yl-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91626972
3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639291
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 100619286
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 100644338
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
3-pyrazin-2-yloxy-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 91627924
(E)-3-(2-chlorophenyl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 117054772

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone (CID 100647150) is [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is O=C([C@H]1Cc2ccccc2CO1)N1CCC[C@H](Oc2cnccn2)C1.
What is the InChIKey of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
The InChIKey is GZBBISIRVJWRMT-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(17-10-14-4-1-2-5-15(14)13-24-17)22-9-3-6-16(12-22)25-18-11-20-7-8-21-18/h1-2,4-5,7-8,11,16-17H,3,6,9-10,12-13H2/t16-,17+/m0/s1.
What are the key properties of [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone?
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone has a molecular weight of 339.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 100647150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).