N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C22H28FN3O2 — CID 87012516

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c1-3-26(17(2)18-4-6-19(23)7-5-18)22(28)16-24-12-14-25(15-13-24)20-8-10-21(27)11-9-20/h4-11,17,27H,3,12-16H2,1-2H3
InChIKeyGHLZWKFTGUVEAJ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 87012516) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID87012516
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O2/c1-3-26(17(2)18-4-6-19(23)7-5-18)22(28)16-24-12-14-25(15-13-24)20-8-10-21(27)11-9-20/h4-11,17,27H,3,12-16H2,1-2H3
InChIKeyGHLZWKFTGUVEAJ-UHFFFAOYSA-N
XLogP3.26
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969723
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
CID 86904501
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 78899257
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
N'-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 1280805

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 87012516) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is GHLZWKFTGUVEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-3-26(17(2)18-4-6-19(23)7-5-18)22(28)16-24-12-14-25(15-13-24)20-8-10-21(27)11-9-20/h4-11,17,27H,3,12-16H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 385.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 87012516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).