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

C22H28N2O4 — CID 1262756

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-15-7-6-8-18(16(15)2)23-9-11-24(12-10-23)22(25)17-13-19(26-3)21(28-5)20(14-17)27-4/h6-8,13-14H,9-12H2,1-5H3
InChIKeyHACLGAXVNPAGBB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.29
Rot. Bonds5

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

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1262756) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID1262756
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-15-7-6-8-18(16(15)2)23-9-11-24(12-10-23)22(25)17-13-19(26-3)21(28-5)20(14-17)27-4/h6-8,13-14H,9-12H2,1-5H3
InChIKeyHACLGAXVNPAGBB-UHFFFAOYSA-N
XLogP3.29
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Vesnarinone
CID 5663
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-
CID 120984
3,4,5-Trimethoxybenzanilide
CID 305103
4-(3,5-Dimethoxyphenyl)-13-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-4,7,13-triazatricyclo[7.3.1.0^{2,7}]tridec-2-ene-5,8-dione
CID 21363707
(R)-2-(3,4-dimethoxybenzyl)-4-(4-(1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
CID 23627612
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
N-(9H-Fluoren-2-YL)-3,4,5-trimethoxybenzamide
CID 1273134

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 1262756) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HACLGAXVNPAGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-7-6-8-18(16(15)2)23-9-11-24(12-10-23)22(25)17-13-19(26-3)21(28-5)20(14-17)27-4/h6-8,13-14H,9-12H2,1-5H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 384.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1262756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).