1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone

C22H26FN3O — CID 55434716

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
SMILESO=C(CNc1cccc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O/c23-18-8-10-19(11-9-18)25-12-14-26(15-13-25)22(27)16-24-21-7-3-5-17-4-1-2-6-20(17)21/h3,5,7-11,24H,1-2,4,6,12-16H2
InChIKeyXYHHOMGTJQBDDU-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone (PubChem CID 55434716) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
PubChem CID55434716
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
SMILESO=C(CNc1cccc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O/c23-18-8-10-19(11-9-18)25-12-14-26(15-13-25)22(27)16-24-21-7-3-5-17-4-1-2-6-20(17)21/h3,5,7-11,24H,1-2,4,6,12-16H2
InChIKeyXYHHOMGTJQBDDU-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone with MolForge

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Related Compounds

1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone
CID 109002262
2-(2-ethyl-6-methylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56503227
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133200332
2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
N-(5-fluoro-2-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 37478676
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone (CID 55434716) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone is O=C(CNc1cccc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone?
The InChIKey is XYHHOMGTJQBDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-18-8-10-19(11-9-18)25-12-14-26(15-13-25)22(27)16-24-21-7-3-5-17-4-1-2-6-20(17)21/h3,5,7-11,24H,1-2,4,6,12-16H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone has a molecular weight of 367.47 g/mol, XLogP of 3.47, 4 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-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone is sourced from PubChem (CID 55434716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).