[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H26N2O4 — CID 28760

IUPAC[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-15-5-7-17(8-6-15)22-9-11-23(12-10-22)21(24)16-13-18(25-2)20(27-4)19(14-16)26-3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPPZFNVKWQORGGR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.98
Rot. Bonds5

About [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 28760) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID28760
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-15-5-7-17(8-6-15)22-9-11-23(12-10-22)21(24)16-13-18(25-2)20(27-4)19(14-16)26-3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPPZFNVKWQORGGR-UHFFFAOYSA-N
XLogP2.98
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53064590
(3,5-dimethoxy-4-methylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777604
(3,4-dimethylphenyl)-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]methanone
CID 113079974
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 17367991
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
1-[4-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26705908
[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 4754056
1-[4-[4-(3,4-dimethoxy-5-prop-2-enylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 27009194
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 28760) is [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PPZFNVKWQORGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-5-7-17(8-6-15)22-9-11-23(12-10-22)21(24)16-13-18(25-2)20(27-4)19(14-16)26-3/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 370.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 28760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).