[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone

C18H21N3O — CID 4883220

IUPAC[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)c3ccccn3)CC2C)c1
InChIInChI=1S/C18H21N3O/c1-14-6-5-7-16(12-14)21-11-10-20(13-15(21)2)18(22)17-8-3-4-9-19-17/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyOZINIXQGJCKASX-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.74
Rot. Bonds2

About [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone

[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 4883220) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID4883220
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cccc(N2CCN(C(=O)c3ccccn3)CC2C)c1
InChIInChI=1S/C18H21N3O/c1-14-6-5-7-16(12-14)21-11-10-20(13-15(21)2)18(22)17-8-3-4-9-19-17/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyOZINIXQGJCKASX-UHFFFAOYSA-N
XLogP2.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 4883220) is [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone is Cc1cccc(N2CCN(C(=O)c3ccccn3)CC2C)c1.
What is the InChIKey of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is OZINIXQGJCKASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-6-5-7-16(12-14)21-11-10-20(13-15(21)2)18(22)17-8-3-4-9-19-17/h3-9,12,15H,10-11,13H2,1-2H3.
What are the key properties of [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 4883220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).