2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide

C20H31FN4O2 — CID 8804929

IUPAC2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN4O2/c1-2-3-4-5-10-22-19(26)15-24-11-13-25(14-12-24)16-20(27)23-18-8-6-17(21)7-9-18/h6-9H,2-5,10-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyUBXOMHGNDMNXSS-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.08
Rot. Bonds10

About 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide

2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide (PubChem CID 8804929) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
PubChem CID8804929
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC Name2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN4O2/c1-2-3-4-5-10-22-19(26)15-24-11-13-25(14-12-24)16-20(27)23-18-8-6-17(21)7-9-18/h6-9H,2-5,10-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyUBXOMHGNDMNXSS-UHFFFAOYSA-N
XLogP2.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
2-[4-(carboxymethyl)-10-ethyl-7-[2-[4-(hexylcarbamoyl)anilino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639410
2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 55372552
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
CID 111109476
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide?
The IUPAC name of 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide (CID 8804929) is 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide.
What is the SMILES notation for 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide?
The canonical SMILES for 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide is CCCCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide?
The InChIKey is UBXOMHGNDMNXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O2/c1-2-3-4-5-10-22-19(26)15-24-11-13-25(14-12-24)16-20(27)23-18-8-6-17(21)7-9-18/h6-9H,2-5,10-16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide?
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide has a molecular weight of 378.49 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide is sourced from PubChem (CID 8804929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).