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

C23H24N4O — CID 95809553

IUPAC[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C23H24N4O/c1-17-5-2-3-6-19(17)15-20-7-4-8-21(26-20)18-9-13-27(14-10-18)23(28)22-16-24-11-12-25-22/h2-8,11-12,16,18H,9-10,13-15H2,1H3
InChIKeySEORQYISPBNUCY-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds4

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

[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95809553) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95809553
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1
InChIInChI=1S/C23H24N4O/c1-17-5-2-3-6-19(17)15-20-7-4-8-21(26-20)18-9-13-27(14-10-18)23(28)22-16-24-11-12-25-22/h2-8,11-12,16,18H,9-10,13-15H2,1H3
InChIKeySEORQYISPBNUCY-UHFFFAOYSA-N
XLogP3.79
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810801
3-[6-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-2-pyridinyl]propanamide
CID 95820724
[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819757
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809453
2-[(2-methylphenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809282
[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808984
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129453675
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
CID 95810677
2-(2-methylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809800

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95809553) is [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1.
What is the InChIKey of [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is SEORQYISPBNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-5-2-3-6-19(17)15-20-7-4-8-21(26-20)18-9-13-27(14-10-18)23(28)22-16-24-11-12-25-22/h2-8,11-12,16,18H,9-10,13-15H2,1H3.
What are the key properties of [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 372.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95809553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).