[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone

C21H26N2O4 — CID 27040790

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15-6-5-7-16(12-15)22-8-10-23(11-9-22)21(24)17-13-19(26-3)20(27-4)14-18(17)25-2/h5-7,12-14H,8-11H2,1-4H3
InChIKeyNAEDSEGAGNGOMF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.98
Rot. Bonds5

About [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 27040790) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
PubChem CID27040790
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15-6-5-7-16(12-15)22-8-10-23(11-9-22)21(24)17-13-19(26-3)20(27-4)14-18(17)25-2/h5-7,12-14H,8-11H2,1-4H3
InChIKeyNAEDSEGAGNGOMF-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

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Related Compounds

(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26534552
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 121167441
(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113206568
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone (CID 27040790) is [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is NAEDSEGAGNGOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-6-5-7-16(12-15)22-8-10-23(11-9-22)21(24)17-13-19(26-3)20(27-4)14-18(17)25-2/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-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-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 27040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).