[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate

C23H24ClFN2O3 — CID 55537955

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2cccc(Cl)c2)CCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24ClFN2O3/c24-18-4-1-3-17(15-18)23(9-2-10-23)22(29)30-16-21(28)27-13-11-26(12-14-27)20-7-5-19(25)6-8-20/h1,3-8,15H,2,9-14,16H2
InChIKeyJHDDLJLPFBPCKZ-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.79
Rot. Bonds5

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate (PubChem CID 55537955) has the molecular formula C23H24ClFN2O3 and a molecular weight of 430.91 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate
PubChem CID55537955
Molecular FormulaC23H24ClFN2O3
Molecular Weight430.91 g/mol
Exact Mass430.15
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2cccc(Cl)c2)CCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24ClFN2O3/c24-18-4-1-3-17(15-18)23(9-2-10-23)22(29)30-16-21(28)27-13-11-26(12-14-27)20-7-5-19(25)6-8-20/h1,3-8,15H,2,9-14,16H2
InChIKeyJHDDLJLPFBPCKZ-UHFFFAOYSA-N
XLogP3.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate
CID 55538064
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 16526147
methyl 1-[2-[1-(3-chlorophenyl)cyclohexanecarbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55546439
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7405503
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-chlorobenzoate
CID 7378652
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
methyl 1-[2-[1-(4-fluorophenyl)cyclobutanecarbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55538522
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314295
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
ethyl 1-[2-[1-(4-fluorophenyl)cyclobutanecarbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55533099

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate (CID 55537955) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate is O=C(COC(=O)C1(c2cccc(Cl)c2)CCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate?
The InChIKey is JHDDLJLPFBPCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O3/c24-18-4-1-3-17(15-18)23(9-2-10-23)22(29)30-16-21(28)27-13-11-26(12-14-27)20-7-5-19(25)6-8-20/h1,3-8,15H,2,9-14,16H2.
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate has a molecular weight of 430.91 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 55537955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).