2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

C22H27N3O2 — CID 110814133

IUPAC2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(C)C)cc1CC(=O)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-16(2)18-8-7-17(3)19(14-18)15-21(26)24-10-12-25(13-11-24)22(27)20-6-4-5-9-23-20/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyRITTYWFEXIZDHB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110814133) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID110814133
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(C)C)cc1CC(=O)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-16(2)18-8-7-17(3)19(14-18)15-21(26)24-10-12-25(13-11-24)22(27)20-6-4-5-9-23-20/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyRITTYWFEXIZDHB-UHFFFAOYSA-N
XLogP3.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2-methyl-5-propan-2-ylphenyl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815909
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
2-(4-propan-2-ylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108546838
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 75395596
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
2-(2-propan-2-ylphenoxy)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108535794
2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 146091114
2-(3-methylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809812
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814097

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone (CID 110814133) is 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(C(C)C)cc1CC(=O)N1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RITTYWFEXIZDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)18-8-7-17(3)19(14-18)15-21(26)24-10-12-25(13-11-24)22(27)20-6-4-5-9-23-20/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 365.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110814133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).