1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

C16H15N3O4 — CID 125012365

IUPAC1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C16H15N3O4/c20-16(11-1-2-13-14(7-11)23-10-22-13)19-5-6-21-15(9-19)12-8-17-3-4-18-12/h1-4,7-8,15H,5-6,9-10H2/t15-/m0/s1
InChIKeyVWYVDJPECRJAJT-HNNXBMFYSA-N
MW313.31 g/mol
LogP1.42
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (PubChem CID 125012365) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
PubChem CID125012365
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C16H15N3O4/c20-16(11-1-2-13-14(7-11)23-10-22-13)19-5-6-21-15(9-19)12-8-17-3-4-18-12/h1-4,7-8,15H,5-6,9-10H2/t15-/m0/s1
InChIKeyVWYVDJPECRJAJT-HNNXBMFYSA-N
XLogP1.42
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 110113060
(2-pyrazin-2-ylmorpholin-4-yl)-quinolin-6-ylmethanone
CID 110103222
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246298
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
1,3-benzodioxol-5-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816082
(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124986914
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (CID 125012365) is 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](c2cnccn2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The InChIKey is VWYVDJPECRJAJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-16(11-1-2-13-14(7-11)23-10-22-13)19-5-6-21-15(9-19)12-8-17-3-4-18-12/h1-4,7-8,15H,5-6,9-10H2/t15-/m0/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone has a molecular weight of 313.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 125012365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).