2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone

C27H28N2O4 — CID 134802866

IUPAC2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)c3cccc(-c4ccccc4OC)c3)CC2)cc1
InChIInChI=1S/C27H28N2O4/c1-32-23-12-10-20(11-13-23)18-26(30)28-14-16-29(17-15-28)27(31)22-7-5-6-21(19-22)24-8-3-4-9-25(24)33-2/h3-13,19H,14-18H2,1-2H3
InChIKeyBPTPATBQJJAKTL-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.90
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 134802866) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID134802866
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)c3cccc(-c4ccccc4OC)c3)CC2)cc1
InChIInChI=1S/C27H28N2O4/c1-32-23-12-10-20(11-13-23)18-26(30)28-14-16-29(17-15-28)27(31)22-7-5-6-21(19-22)24-8-3-4-9-25(24)33-2/h3-13,19H,14-18H2,1-2H3
InChIKeyBPTPATBQJJAKTL-UHFFFAOYSA-N
XLogP3.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002
[3-[4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926754
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone (CID 134802866) is 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(C(=O)c3cccc(-c4ccccc4OC)c3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is BPTPATBQJJAKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-32-23-12-10-20(11-13-23)18-26(30)28-14-16-29(17-15-28)27(31)22-7-5-6-21(19-22)24-8-3-4-9-25(24)33-2/h3-13,19H,14-18H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 444.53 g/mol, XLogP of 3.90, 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-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134802866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).