[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C21H21N5O — CID 95819757

IUPAC[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1ccccc1-c1cncc(C2CCN(C(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C21H21N5O/c1-15-4-2-3-5-17(15)19-13-23-12-18(25-19)16-6-10-26(11-7-16)21(27)20-14-22-8-9-24-20/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3
InChIKeyPQSQRKVSVLJGHY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.26
Rot. Bonds3

About [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95819757) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95819757
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1ccccc1-c1cncc(C2CCN(C(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C21H21N5O/c1-15-4-2-3-5-17(15)19-13-23-12-18(25-19)16-6-10-26(11-7-16)21(27)20-14-22-8-9-24-20/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3
InChIKeyPQSQRKVSVLJGHY-UHFFFAOYSA-N
XLogP3.26
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819881
[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809553
2-(2-methylphenyl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazine
CID 95819533
2-(4-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819861
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124970955
3-[6-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-2-pyridinyl]propanamide
CID 95820724
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50948310
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95819757) is [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1ccccc1-c1cncc(C2CCN(C(=O)c3cnccn3)CC2)n1.
What is the InChIKey of [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is PQSQRKVSVLJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-4-2-3-5-17(15)19-13-23-12-18(25-19)16-6-10-26(11-7-16)21(27)20-14-22-8-9-24-20/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3.
What are the key properties of [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95819757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).