3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide

C22H27N5O3 — CID 110255104

IUPAC3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2C2CCCN(C(=O)CN3CCOCC3)C2)c1
InChIInChI=1S/C22H27N5O3/c23-22(29)17-4-1-3-16(13-17)20-21(25-7-6-24-20)18-5-2-8-27(14-18)19(28)15-26-9-11-30-12-10-26/h1,3-4,6-7,13,18H,2,5,8-12,14-15H2,(H2,23,29)
InChIKeyLEPBLYONGLZOJO-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.28
Rot. Bonds5

About 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide

3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide (PubChem CID 110255104) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
PubChem CID110255104
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2C2CCCN(C(=O)CN3CCOCC3)C2)c1
InChIInChI=1S/C22H27N5O3/c23-22(29)17-4-1-3-16(13-17)20-21(25-7-6-24-20)18-5-2-8-27(14-18)19(28)15-26-9-11-30-12-10-26/h1,3-4,6-7,13,18H,2,5,8-12,14-15H2,(H2,23,29)
InChIKeyLEPBLYONGLZOJO-UHFFFAOYSA-N
XLogP1.28
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819232
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819100
3-[3-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255040
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
3-[2-amino-4-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806633
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide (CID 110255104) is 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2nccnc2C2CCCN(C(=O)CN3CCOCC3)C2)c1.
What is the InChIKey of 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is LEPBLYONGLZOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c23-22(29)17-4-1-3-16(13-17)20-21(25-7-6-24-20)18-5-2-8-27(14-18)19(28)15-26-9-11-30-12-10-26/h1,3-4,6-7,13,18H,2,5,8-12,14-15H2,(H2,23,29).
What are the key properties of 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 110255104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).