1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone

C20H24FN3O — CID 108996744

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
SMILESCc1cccc(CNCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-3-2-4-17(13-16)14-22-15-20(25)24-11-9-23(10-12-24)19-7-5-18(21)6-8-19/h2-8,13,22H,9-12,14-15H2,1H3
InChIKeyJMFUBRRQHVPHSR-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone (PubChem CID 108996744) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
PubChem CID108996744
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
SMILESCc1cccc(CNCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-3-2-4-17(13-16)14-22-15-20(25)24-11-9-23(10-12-24)19-7-5-18(21)6-8-19/h2-8,13,22H,9-12,14-15H2,1H3
InChIKeyJMFUBRRQHVPHSR-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996776
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
2-[(4-chlorophenyl)methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 108998099
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900339
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822792
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)methylamino]propan-1-one
CID 109019615
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113081387
1-(3-fluorophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1058047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone (CID 108996744) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone is Cc1cccc(CNCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone?
The InChIKey is JMFUBRRQHVPHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-3-2-4-17(13-16)14-22-15-20(25)24-11-9-23(10-12-24)19-7-5-18(21)6-8-19/h2-8,13,22H,9-12,14-15H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone has a molecular weight of 341.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone is sourced from PubChem (CID 108996744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).