4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide

C22H23N5O2 — CID 95822106

IUPAC4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide
SMILESNC(=O)c1ccc(Oc2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H23N5O2/c23-21(28)16-6-8-19(9-7-16)29-22-20(25-11-12-26-22)17-4-3-13-27(14-17)15-18-5-1-2-10-24-18/h1-2,5-12,17H,3-4,13-15H2,(H2,23,28)/t17-/m1/s1
InChIKeyGTDFDIBVGBKHOG-QGZVFWFLSA-N
MW389.46 g/mol
LogP3.14
Rot. Bonds6

About 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide

4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide (PubChem CID 95822106) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide
PubChem CID95822106
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide
SMILESNC(=O)c1ccc(Oc2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H23N5O2/c23-21(28)16-6-8-19(9-7-16)29-22-20(25-11-12-26-22)17-4-3-13-27(14-17)15-18-5-1-2-10-24-18/h1-2,5-12,17H,3-4,13-15H2,(H2,23,28)/t17-/m1/s1
InChIKeyGTDFDIBVGBKHOG-QGZVFWFLSA-N
XLogP3.14
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(pyridin-2-ylmethyl)azepan-3-yl]benzamide
CID 26741996
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
4-[3-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazin-2-yl]oxybenzamide
CID 95822596
2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
CID 125006836
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 110250066
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide?
The IUPAC name of 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide (CID 95822106) is 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide.
What is the SMILES notation for 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide?
The canonical SMILES for 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide is NC(=O)c1ccc(Oc2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1.
What is the InChIKey of 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide?
The InChIKey is GTDFDIBVGBKHOG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-21(28)16-6-8-19(9-7-16)29-22-20(25-11-12-26-22)17-4-3-13-27(14-17)15-18-5-1-2-10-24-18/h1-2,5-12,17H,3-4,13-15H2,(H2,23,28)/t17-/m1/s1.
What are the key properties of 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide?
4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide is sourced from PubChem (CID 95822106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).