2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone

C22H26N2O4 — CID 1010420

IUPAC2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-7-3-17(4-8-19)15-21(25)23-11-13-24(14-12-23)22(26)16-18-5-9-20(28-2)10-6-18/h3-10H,11-16H2,1-2H3
InChIKeyDILXENIQRJYKLY-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.16
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone (PubChem CID 1010420) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone
PubChem CID1010420
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-7-3-17(4-8-19)15-21(25)23-11-13-24(14-12-23)22(26)16-18-5-9-20(28-2)10-6-18/h3-10H,11-16H2,1-2H3
InChIKeyDILXENIQRJYKLY-UHFFFAOYSA-N
XLogP2.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Caproctamine
CID 10055202
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
AC-90179
CID 9799308
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzeneacetamide
CID 703658
1-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742519
3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 3946238
1-[(4-Methoxyphenyl)acetyl]-4-methylpiperazine
CID 551032
2-(4-methoxyphenyl)-N-pentylacetamide
CID 653397
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
CID 2360210
Nocazine C
CID 56600878

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone (CID 1010420) is 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is DILXENIQRJYKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-7-3-17(4-8-19)15-21(25)23-11-13-24(14-12-23)22(26)16-18-5-9-20(28-2)10-6-18/h3-10H,11-16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 1010420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).