(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone

C21H24N2O2 — CID 119580638

IUPAC(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCNC(C)C2)cc1C
InChIInChI=1S/C21H24N2O2/c1-14-8-9-17(12-15(14)2)20(24)18-6-4-5-7-19(18)21(25)23-11-10-22-16(3)13-23/h4-9,12,16,22H,10-11,13H2,1-3H3
InChIKeyGCVMVJWYHPEEMM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.97
Rot. Bonds3

About (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone

(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone (PubChem CID 119580638) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
PubChem CID119580638
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCNC(C)C2)cc1C
InChIInChI=1S/C21H24N2O2/c1-14-8-9-17(12-15(14)2)20(24)18-6-4-5-7-19(18)21(25)23-11-10-22-16(3)13-23/h4-9,12,16,22H,10-11,13H2,1-3H3
InChIKeyGCVMVJWYHPEEMM-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylbenzoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353919
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
CID 75428699
[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119579880
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(3-methyl-1,4-diazepan-1-yl)-(2-methylphenyl)methanone
CID 82242995

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone (CID 119580638) is (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone is Cc1ccc(C(=O)c2ccccc2C(=O)N2CCNC(C)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone?
The InChIKey is GCVMVJWYHPEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-8-9-17(12-15(14)2)20(24)18-6-4-5-7-19(18)21(25)23-11-10-22-16(3)13-23/h4-9,12,16,22H,10-11,13H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone?
(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 119580638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).