1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one

C24H28F2N2O5 — CID 55548555

IUPAC1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
SMILESCCOc1ccccc1OCCCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C24H28F2N2O5/c1-2-31-20-10-5-6-11-21(20)32-17-7-12-22(29)27-13-15-28(16-14-27)23(30)18-8-3-4-9-19(18)33-24(25)26/h3-6,8-11,24H,2,7,12-17H2,1H3
InChIKeyKPTPDRWBWVADBF-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.83
Rot. Bonds10

About 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one

1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one (PubChem CID 55548555) has the molecular formula C24H28F2N2O5 and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
PubChem CID55548555
Molecular FormulaC24H28F2N2O5
Molecular Weight462.49 g/mol
Exact Mass462.20
IUPAC Name1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
SMILESCCOc1ccccc1OCCCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C24H28F2N2O5/c1-2-31-20-10-5-6-11-21(20)32-17-7-12-22(29)27-13-15-28(16-14-27)23(30)18-8-3-4-9-19(18)33-24(25)26/h3-6,8-11,24H,2,7,12-17H2,1H3
InChIKeyKPTPDRWBWVADBF-UHFFFAOYSA-N
XLogP3.83
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 55547976
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 55548437
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
4-(2-ethoxyphenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 112765521
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
4-butoxy-N-[2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 55548234
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42888082
4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 108533628
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108533625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one?
The IUPAC name of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one (CID 55548555) is 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one.
What is the SMILES notation for 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one?
The canonical SMILES for 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one is CCOc1ccccc1OCCCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one?
The InChIKey is KPTPDRWBWVADBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O5/c1-2-31-20-10-5-6-11-21(20)32-17-7-12-22(29)27-13-15-28(16-14-27)23(30)18-8-3-4-9-19(18)33-24(25)26/h3-6,8-11,24H,2,7,12-17H2,1H3.
What are the key properties of 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one?
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one has a molecular weight of 462.49 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one is sourced from PubChem (CID 55548555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).