1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone

C22H28N2O4 — CID 9071450

IUPAC1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-26-19-10-9-18(21(27-2)22(19)28-3)15-20(25)24-13-11-23(12-14-24)16-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3
InChIKeyUHXGCTJWJKJIMR-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.60
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 9071450) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID9071450
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-26-19-10-9-18(21(27-2)22(19)28-3)15-20(25)24-13-11-23(12-14-24)16-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3
InChIKeyUHXGCTJWJKJIMR-UHFFFAOYSA-N
XLogP2.60
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9182130
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
2-phenyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 4755372
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2880183
2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 31606677
4-benzyl-N-ethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110959514
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 9069712
oxalic acid;(4-phenylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366111

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone (CID 9071450) is 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is UHXGCTJWJKJIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-10-9-18(21(27-2)22(19)28-3)15-20(25)24-13-11-23(12-14-24)16-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 384.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 9071450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).