1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone

C22H27FN4O2 — CID 109002262

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone
SMILESO=C(CNc1ccccc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c23-18-5-7-19(8-6-18)25-9-11-27(12-10-25)22(28)17-24-20-3-1-2-4-21(20)26-13-15-29-16-14-26/h1-8,24H,9-17H2
InChIKeyCLHIGNFXJCPHMS-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.42
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone (PubChem CID 109002262) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone
PubChem CID109002262
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone
SMILESO=C(CNc1ccccc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c23-18-5-7-19(8-6-18)25-9-11-27(12-10-25)22(28)17-24-20-3-1-2-4-21(20)26-13-15-29-16-14-26/h1-8,24H,9-17H2
InChIKeyCLHIGNFXJCPHMS-UHFFFAOYSA-N
XLogP2.42
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108997897
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 55434716
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017899
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2486451
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluoroanilino)ethanone
CID 109004385
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone (CID 109002262) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone is O=C(CNc1ccccc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone?
The InChIKey is CLHIGNFXJCPHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-18-5-7-19(8-6-18)25-9-11-27(12-10-25)22(28)17-24-20-3-1-2-4-21(20)26-13-15-29-16-14-26/h1-8,24H,9-17H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone has a molecular weight of 398.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone is sourced from PubChem (CID 109002262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).