2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone

C20H22N2O3 — CID 110366218

IUPAC2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)22-13-11-21(12-14-22)15-19(23)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyPQLBQJZHUOLSJJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.34
Rot. Bonds5

About 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone (PubChem CID 110366218) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
PubChem CID110366218
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)22-13-11-21(12-14-22)15-19(23)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyPQLBQJZHUOLSJJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 1126140
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110611250
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone (CID 110366218) is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone is COc1ccc(C(=O)N2CCN(CC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone?
The InChIKey is PQLBQJZHUOLSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-18-9-7-17(8-10-18)20(24)22-13-11-21(12-14-22)15-19(23)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone?
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone has a molecular weight of 338.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone is sourced from PubChem (CID 110366218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).