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

C20H22N2O4 — CID 55851491

IUPAC1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1
InChIInChI=1S/C20H22N2O4/c1-26-16-6-4-5-15(13-16)14-19(24)21-9-11-22(12-10-21)20(25)17-7-2-3-8-18(17)23/h2-8,13,23H,9-12,14H2,1H3
InChIKeyCACUNIOGXXAORQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.93
Rot. Bonds4

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

1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 55851491) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID55851491
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1
InChIInChI=1S/C20H22N2O4/c1-26-16-6-4-5-15(13-16)14-19(24)21-9-11-22(12-10-21)20(25)17-7-2-3-8-18(17)23/h2-8,13,23H,9-12,14H2,1H3
InChIKeyCACUNIOGXXAORQ-UHFFFAOYSA-N
XLogP1.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 120626340
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2-(3-methoxyphenyl)ethanone
CID 110809795
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 32531628
6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182748
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 60591755

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 55851491) is 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1.
What is the InChIKey of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is CACUNIOGXXAORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-16-6-4-5-15(13-16)14-19(24)21-9-11-22(12-10-21)20(25)17-7-2-3-8-18(17)23/h2-8,13,23H,9-12,14H2,1H3.
What are the key properties of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 354.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 55851491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).