3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide

C23H24N4O — CID 95818592

IUPAC3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C23H24N4O/c24-23(28)19-9-4-8-18(14-19)21-22(26-12-11-25-21)20-10-5-13-27(16-20)15-17-6-2-1-3-7-17/h1-4,6-9,11-12,14,20H,5,10,13,15-16H2,(H2,24,28)/t20-/m0/s1
InChIKeyAOIOYKJCYGNADW-FQEVSTJZSA-N
MW372.47 g/mol
LogP3.62
Rot. Bonds5

About 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide

3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide (PubChem CID 95818592) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
PubChem CID95818592
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C23H24N4O/c24-23(28)19-9-4-8-18(14-19)21-22(26-12-11-25-21)20-10-5-13-27(16-20)15-17-6-2-1-3-7-17/h1-4,6-9,11-12,14,20H,5,10,13,15-16H2,(H2,24,28)/t20-/m0/s1
InChIKeyAOIOYKJCYGNADW-FQEVSTJZSA-N
XLogP3.62
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
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
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide (CID 95818592) is 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is AOIOYKJCYGNADW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N4O/c24-23(28)19-9-4-8-18(14-19)21-22(26-12-11-25-21)20-10-5-13-27(16-20)15-17-6-2-1-3-7-17/h1-4,6-9,11-12,14,20H,5,10,13,15-16H2,(H2,24,28)/t20-/m0/s1.
What are the key properties of 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide?
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 95818592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).