3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide

C23H23N5O2 — CID 95819100

IUPAC3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)c1
InChIInChI=1S/C23H23N5O2/c24-23(30)17-6-3-5-16(13-17)21-22(27-11-10-26-21)18-7-4-12-28(15-18)20(29)14-19-8-1-2-9-25-19/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2,(H2,24,30)/t18-/m1/s1
InChIKeyYCNNAQAEECMTGY-GOSISDBHSA-N
MW401.47 g/mol
LogP2.59
Rot. Bonds5

About 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide

3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide (PubChem CID 95819100) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
PubChem CID95819100
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)c1
InChIInChI=1S/C23H23N5O2/c24-23(30)17-6-3-5-16(13-17)21-22(27-11-10-26-21)18-7-4-12-28(15-18)20(29)14-19-8-1-2-9-25-19/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2,(H2,24,30)/t18-/m1/s1
InChIKeyYCNNAQAEECMTGY-GOSISDBHSA-N
XLogP2.59
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255040
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255104
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
1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
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-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide (CID 95819100) is 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccn3)C2)c1.
What is the InChIKey of 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is YCNNAQAEECMTGY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-23(30)17-6-3-5-16(13-17)21-22(27-11-10-26-21)18-7-4-12-28(15-18)20(29)14-19-8-1-2-9-25-19/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2,(H2,24,30)/t18-/m1/s1.
What are the key properties of 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 95819100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).