[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone

C23H28N2O3 — CID 27259483

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-5-15-28-21-10-9-19(16-22(21)27-4)23(26)25-13-11-24(12-14-25)20-8-6-7-17(2)18(20)3/h5-10,16H,1,11-15H2,2-4H3
InChIKeyQJMCEEOBPJSJFP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.84
Rot. Bonds6

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone (PubChem CID 27259483) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
PubChem CID27259483
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-5-15-28-21-10-9-19(16-22(21)27-4)23(26)25-13-11-24(12-14-25)20-8-6-7-17(2)18(20)3/h5-10,16H,1,11-15H2,2-4H3
InChIKeyQJMCEEOBPJSJFP-UHFFFAOYSA-N
XLogP3.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 8968543
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
N-(2,6-dimethylphenyl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]acetamide
CID 24547645
(4-butoxy-3-methoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766369
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone
CID 18892270
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]ethanone
CID 52686521
4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32504642
[4-(benzenesulfonyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 27510394
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxy-4-prop-1-enylphenoxy)ethanone
CID 74514826
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 136817919

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone (CID 27259483) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone is C=CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone?
The InChIKey is QJMCEEOBPJSJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-15-28-21-10-9-19(16-22(21)27-4)23(26)25-13-11-24(12-14-25)20-8-6-7-17(2)18(20)3/h5-10,16H,1,11-15H2,2-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone has a molecular weight of 380.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 27259483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).