[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C21H23FN2O3 — CID 110802331

IUPAC[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1C
InChIInChI=1S/C21H23FN2O3/c1-3-27-19-8-7-17(13-15(19)2)21(26)24-11-9-23(10-12-24)20(25)16-5-4-6-18(22)14-16/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyZDEKZCZLJPWPNZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.13
Rot. Bonds4

About [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 110802331) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID110802331
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1C
InChIInChI=1S/C21H23FN2O3/c1-3-27-19-8-7-17(13-15(19)2)21(26)24-11-9-23(10-12-24)20(25)16-5-4-6-18(22)14-16/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyZDEKZCZLJPWPNZ-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 110804678
1-[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803973
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816
(3-fluorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399259
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
1-[4-(4-ethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110806705
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
(3,4-diethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19323344
ethyl 4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110809000

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 110802331) is [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone is CCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1C.
What is the InChIKey of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is ZDEKZCZLJPWPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-3-27-19-8-7-17(13-15(19)2)21(26)24-11-9-23(10-12-24)20(25)16-5-4-6-18(22)14-16/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 370.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 110802331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).