3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide

C17H25FN4O2 — CID 39980549

IUPAC3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide
SMILESCCN1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O2/c1-2-20-9-11-21(12-10-20)13-17(24)22(8-7-16(19)23)15-5-3-14(18)4-6-15/h3-6H,2,7-13H2,1H3,(H2,19,23)
InChIKeyYAAOLGAJCWDXRE-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.67
Rot. Bonds7

About 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide

3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide (PubChem CID 39980549) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide
PubChem CID39980549
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide
SMILESCCN1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O2/c1-2-20-9-11-21(12-10-20)13-17(24)22(8-7-16(19)23)15-5-3-14(18)4-6-15/h3-6H,2,7-13H2,1H3,(H2,19,23)
InChIKeyYAAOLGAJCWDXRE-UHFFFAOYSA-N
XLogP0.67
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide
CID 39980651
3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 55506228
3-(4-fluoro-N-[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 35162340
3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide
CID 37375870
3-(4-fluoro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]acetyl]anilino)propanamide
CID 46662570
3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
CID 55471071
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 65249736
3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
CID 47035121
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
3-(N-[2-[4-(2-nitrophenyl)piperazin-1-yl]acetyl]anilino)propanamide
CID 34690444
O-propan-2-yl [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]sulfanylmethanethioate
CID 47044715

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide?
The IUPAC name of 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide (CID 39980549) is 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide?
The canonical SMILES for 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide is CCN1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide?
The InChIKey is YAAOLGAJCWDXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-2-20-9-11-21(12-10-20)13-17(24)22(8-7-16(19)23)15-5-3-14(18)4-6-15/h3-6H,2,7-13H2,1H3,(H2,19,23).
What are the key properties of 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide?
3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide has a molecular weight of 336.41 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide is sourced from PubChem (CID 39980549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).