(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H21N3O — CID 925511

IUPAC(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H21N3O/c1-14-6-7-15(2)16(13-14)18(22)21-11-9-20(10-12-21)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3
InChIKeyXRUAHDLFZFDPEJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.66
Rot. Bonds2

About (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 925511) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID925511
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H21N3O/c1-14-6-7-15(2)16(13-14)18(22)21-11-9-20(10-12-21)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3
InChIKeyXRUAHDLFZFDPEJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55331030
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849794
2-(2,5-dimethylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 112790786
2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 78768674
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702820
(2,5-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699516
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17250311
(3-methyl-4-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 806858

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 925511) is (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccc(C)c(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XRUAHDLFZFDPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-6-7-15(2)16(13-14)18(22)21-11-9-20(10-12-21)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 925511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).