N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C22H28FN3O2 — CID 113109204

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O2/c1-17(2)28-21-6-4-3-5-20(21)25-13-15-26(16-14-25)22(27)24-12-11-18-7-9-19(23)10-8-18/h3-10,17H,11-16H2,1-2H3,(H,24,27)
InChIKeyFCDCFBMFJDWIDZ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113109204) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113109204
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O2/c1-17(2)28-21-6-4-3-5-20(21)25-13-15-26(16-14-25)22(27)24-12-11-18-7-9-19(23)10-8-18/h3-10,17H,11-16H2,1-2H3,(H,24,27)
InChIKeyFCDCFBMFJDWIDZ-UHFFFAOYSA-N
XLogP3.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853
4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109233
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530710
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108282
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 78754849
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
4-(2,6-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109230

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113109204) is N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1N1CCN(C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is FCDCFBMFJDWIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-17(2)28-21-6-4-3-5-20(21)25-13-15-26(16-14-25)22(27)24-12-11-18-7-9-19(23)10-8-18/h3-10,17H,11-16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113109204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).