3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide

C21H24N6O — CID 95819300

IUPAC3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESCn1cc(CN2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cn1
InChIInChI=1S/C21H24N6O/c1-26-12-15(11-25-26)13-27-9-3-6-18(14-27)20-19(23-7-8-24-20)16-4-2-5-17(10-16)21(22)28/h2,4-5,7-8,10-12,18H,3,6,9,13-14H2,1H3,(H2,22,28)/t18-/m1/s1
InChIKeyAMYRIHFFGZTFJC-GOSISDBHSA-N
MW376.46 g/mol
LogP2.36
Rot. Bonds5

About 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide

3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide (PubChem CID 95819300) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
PubChem CID95819300
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
SMILESCn1cc(CN2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cn1
InChIInChI=1S/C21H24N6O/c1-26-12-15(11-25-26)13-27-9-3-6-18(14-27)20-19(23-7-8-24-20)16-4-2-5-17(10-16)21(22)28/h2,4-5,7-8,10-12,18H,3,6,9,13-14H2,1H3,(H2,22,28)/t18-/m1/s1
InChIKeyAMYRIHFFGZTFJC-GOSISDBHSA-N
XLogP2.36
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255104
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
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide (CID 95819300) is 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide is Cn1cc(CN2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cn1.
What is the InChIKey of 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is AMYRIHFFGZTFJC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26-12-15(11-25-26)13-27-9-3-6-18(14-27)20-19(23-7-8-24-20)16-4-2-5-17(10-16)21(22)28/h2,4-5,7-8,10-12,18H,3,6,9,13-14H2,1H3,(H2,22,28)/t18-/m1/s1.
What are the key properties of 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide?
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 95819300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).