[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone

C22H26N2O4 — CID 4958094

IUPAC[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(C(=O)c3cccc(OCC)c3)CC2)c1
InChIInChI=1S/C22H26N2O4/c1-3-27-19-9-5-7-17(15-19)21(25)23-11-13-24(14-12-23)22(26)18-8-6-10-20(16-18)28-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyXAHYDSHEZXHJKT-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.08
Rot. Bonds6

About [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone (PubChem CID 4958094) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
PubChem CID4958094
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(C(=O)c3cccc(OCC)c3)CC2)c1
InChIInChI=1S/C22H26N2O4/c1-3-27-19-9-5-7-17(15-19)21(25)23-11-13-24(14-12-23)22(26)18-8-6-10-20(16-18)28-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyXAHYDSHEZXHJKT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
(3-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 52693720
5-amino-2-[4-(3-ethoxybenzoyl)piperazin-1-yl]benzonitrile
CID 56772543
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone (CID 4958094) is [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)N2CCN(C(=O)c3cccc(OCC)c3)CC2)c1.
What is the InChIKey of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone?
The InChIKey is XAHYDSHEZXHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-27-19-9-5-7-17(15-19)21(25)23-11-13-24(14-12-23)22(26)18-8-6-10-20(16-18)28-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3.
What are the key properties of [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone?
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone has a molecular weight of 382.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 4958094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).