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

C18H23N5O3S — CID 95819022

IUPAC3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C18H23N5O3S/c1-22(2)27(25,26)23-10-4-7-15(12-23)17-16(20-8-9-21-17)13-5-3-6-14(11-13)18(19)24/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3,(H2,19,24)/t15-/m1/s1
InChIKeyRZIKARALEVLAFO-OAHLLOKOSA-N
MW389.48 g/mol
LogP1.23
Rot. Bonds5

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

3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide (PubChem CID 95819022) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
PubChem CID95819022
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1
InChIInChI=1S/C18H23N5O3S/c1-22(2)27(25,26)23-10-4-7-15(12-23)17-16(20-8-9-21-17)13-5-3-6-14(11-13)18(19)24/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3,(H2,19,24)/t15-/m1/s1
InChIKeyRZIKARALEVLAFO-OAHLLOKOSA-N
XLogP1.23
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110254997
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
CID 110255003
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-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
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-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255104

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide (CID 95819022) is 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide is CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is RZIKARALEVLAFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-22(2)27(25,26)23-10-4-7-15(12-23)17-16(20-8-9-21-17)13-5-3-6-14(11-13)18(19)24/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3,(H2,19,24)/t15-/m1/s1.
What are the key properties of 3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide?
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.23, 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-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 95819022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).