[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H28FN5O — CID 109154708

IUPAC[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1
InChIInChI=1S/C22H28FN5O/c1-2-25-9-11-27(12-10-25)21-8-3-18(17-24-21)22(29)28-15-13-26(14-16-28)20-6-4-19(23)5-7-20/h3-8,17H,2,9-16H2,1H3
InChIKeyJDWXYEACTVQYFT-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.33
Rot. Bonds4

About [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109154708) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109154708
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC Name[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1
InChIInChI=1S/C22H28FN5O/c1-2-25-9-11-27(12-10-25)21-8-3-18(17-24-21)22(29)28-15-13-26(14-16-28)20-6-4-19(23)5-7-20/h3-8,17H,2,9-16H2,1H3
InChIKeyJDWXYEACTVQYFT-UHFFFAOYSA-N
XLogP2.33
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone 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

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109151966
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648
[4-(4-fluorophenyl)piperazin-1-yl]-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105164
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55508084
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
[4-(2,4-difluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 166339714
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109154708) is [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCN1CCN(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1.
What is the InChIKey of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is JDWXYEACTVQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-2-25-9-11-27(12-10-25)21-8-3-18(17-24-21)22(29)28-15-13-26(14-16-28)20-6-4-19(23)5-7-20/h3-8,17H,2,9-16H2,1H3.
What are the key properties of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109154708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).