ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone

C17H31FN4O — CID 142843333

IUPACethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
SMILESCC.CC.CNNCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN4O.2C2H6/c1-15-16-10-13(19)18-8-6-17(7-9-18)12-4-2-11(14)3-5-12;2*1-2/h2-5,15-16H,6-10H2,1H3;2*1-2H3
InChIKeyLSEBHSRSPIRZTQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.25
Rot. Bonds4

About ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone

ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone (PubChem CID 142843333) has the molecular formula C17H31FN4O and a molecular weight of 326.46 g/mol. Its IUPAC name is ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone.

Molecular Properties

Compound Nameethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
PubChem CID142843333
Molecular FormulaC17H31FN4O
Molecular Weight326.46 g/mol
Exact Mass326.25
IUPAC Nameethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
SMILESCC.CC.CNNCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN4O.2C2H6/c1-15-16-10-13(19)18-8-6-17(7-9-18)12-4-2-11(14)3-5-12;2*1-2/h2-5,15-16H,6-10H2,1H3;2*1-2H3
InChIKeyLSEBHSRSPIRZTQ-UHFFFAOYSA-N
XLogP2.25
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
2-[(4-chlorophenyl)methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 108998099
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996744
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-methylcyclohexyl)amino]ethanone
CID 112770227
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 64685927
2-(3,5-difluoro-4-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56502976
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
2-(2-ethyl-6-methylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56503227

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone?
The IUPAC name of ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone (CID 142843333) is ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone.
What is the SMILES notation for ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone?
The canonical SMILES for ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone is CC.CC.CNNCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone?
The InChIKey is LSEBHSRSPIRZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O.2C2H6/c1-15-16-10-13(19)18-8-6-17(7-9-18)12-4-2-11(14)3-5-12;2*1-2/h2-5,15-16H,6-10H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone?
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone has a molecular weight of 326.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone is sourced from PubChem (CID 142843333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).