2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone

C21H29F2N3O — CID 119877527

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(c1ccc(F)cc1F)N1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C21H29F2N3O/c1-14(19-5-2-16(22)13-20(19)23)25-6-8-26(9-7-25)21(27)12-15-10-17-3-4-18(11-15)24-17/h2,5,13-15,17-18,24H,3-4,6-12H2,1H3
InChIKeyUFIZXHBHCCMAKN-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.09
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone (PubChem CID 119877527) has the molecular formula C21H29F2N3O and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone
PubChem CID119877527
Molecular FormulaC21H29F2N3O
Molecular Weight377.48 g/mol
Exact Mass377.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(c1ccc(F)cc1F)N1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C21H29F2N3O/c1-14(19-5-2-16(22)13-20(19)23)25-6-8-26(9-7-25)21(27)12-15-10-17-3-4-18(11-15)24-17/h2,5,13-15,17-18,24H,3-4,6-12H2,1H3
InChIKeyUFIZXHBHCCMAKN-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119827516
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888920
(1-aminocyclopentyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 119877513
3-[1-(2,4-difluorophenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491116
3-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119953698
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119877516
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 125146639
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone (CID 119877527) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone is CC(c1ccc(F)cc1F)N1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is UFIZXHBHCCMAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N3O/c1-14(19-5-2-16(22)13-20(19)23)25-6-8-26(9-7-25)21(27)12-15-10-17-3-4-18(11-15)24-17/h2,5,13-15,17-18,24H,3-4,6-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 377.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119877527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).