1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone

C19H22ClFN4O — CID 45228706

IUPAC1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncccc2CNCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H22ClFN4O/c1-14(26)24-7-9-25(10-8-24)19-16(3-2-6-23-19)13-22-12-15-4-5-17(21)11-18(15)20/h2-6,11,22H,7-10,12-13H2,1H3
InChIKeyZQUGBJPLLLTBHI-UHFFFAOYSA-N
MW376.86 g/mol
LogP2.83
Rot. Bonds5

About 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 45228706) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID45228706
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC Name1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncccc2CNCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H22ClFN4O/c1-14(26)24-7-9-25(10-8-24)19-16(3-2-6-23-19)13-22-12-15-4-5-17(21)11-18(15)20/h2-6,11,22H,7-10,12-13H2,1H3
InChIKeyZQUGBJPLLLTBHI-UHFFFAOYSA-N
XLogP2.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[3-[(1-benzothiophen-2-ylmethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 26403529
1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 136537667
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102
2-(3-fluorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093862
1-[4-[[[2-(azocan-1-yl)-3-pyridinyl]methylamino]methyl]thiophen-2-yl]ethanone
CID 42195517
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone
CID 26318707
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrazol-1-ylbutanamide
CID 56752725
N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502844

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 45228706) is 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncccc2CNCc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is ZQUGBJPLLLTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-14(26)24-7-9-25(10-8-24)19-16(3-2-6-23-19)13-22-12-15-4-5-17(21)11-18(15)20/h2-6,11,22H,7-10,12-13H2,1H3.
What are the key properties of 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 376.86 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 45228706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).