(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C25H27N3O — CID 27259352

IUPAC(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)c1C
InChIInChI=1S/C25H27N3O/c1-19-9-8-14-24(20(19)2)27-15-17-28(18-16-27)25(29)22-12-6-7-13-23(22)26-21-10-4-3-5-11-21/h3-14,26H,15-18H2,1-2H3
InChIKeyIIRXGQREACDHFV-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.01
Rot. Bonds4

About (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 27259352) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID27259352
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)c1C
InChIInChI=1S/C25H27N3O/c1-19-9-8-14-24(20(19)2)27-15-17-28(18-16-27)25(29)22-12-6-7-13-23(22)26-21-10-4-3-5-11-21/h3-14,26H,15-18H2,1-2H3
InChIKeyIIRXGQREACDHFV-UHFFFAOYSA-N
XLogP5.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
CID 51113389
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
2-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 112791474
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 27259352) is (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)c1C.
What is the InChIKey of (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is IIRXGQREACDHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-19-9-8-14-24(20(19)2)27-15-17-28(18-16-27)25(29)22-12-6-7-13-23(22)26-21-10-4-3-5-11-21/h3-14,26H,15-18H2,1-2H3.
What are the key properties of (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 27259352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).